2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

C190H288F3N51O9S — CID 158466591

IUPAC2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1c[nH]c(=S)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N)nc1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(N)nc1.CC(C)c1cnc(N)nc1C(F)(F)F.CC(C)c1cncc(=O)[nH]1.CC(C)c1ncncc1O.CNC(=O)Nc1ncc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1cc(C(C)C)ncn1.COc1ccc(C(C)C)cn1.COc1nc(N)ncc1C(C)C.COc1ncc(C(C)C)c(OC)n1.COc1ncc(C(C)C)cn1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1nc(C(C)C)nc(C)c1N.Cc1nc(N)ccc1C(C)C.Cc1nc(N)ccc1C(C)C.Cc1nc(N)ncc1C(C)C
InChIInChI=1S/C10H15N.C9H14N4O.C9H15N3.C9H14N2O2.3C9H14N2.C9H13NO.C9H13N.C8H10F3N3.C8H13N3O.2C8H13N3.2C8H12N2O.4C8H12N2.C7H11N3.2C7H10N2O.C7H10N2S/c1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-4-11-8(12-5-7)13-9(14)10-3;1-5(2)9-11-6(3)8(10)7(4)12-9;1-6(2)7-5-10-9(13-4)11-8(7)12-3;1-7(2)8-4-5-9(10-3)11-6-8;2*1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-4(2)5-3-13-7(12)14-6(5)8(9,10)11;1-5(2)6-4-10-8(9)11-7(6)12-3;1-6(2)7-4-10-8(9-3)11-5-7;1-5(2)7-4-10-8(9)11-6(7)3;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-9-7(8)10-4-6;1-5(2)7-6(10)3-8-4-9-7;1-5(2)6-3-8-4-7(10)9-6;1-5(2)6-3-9-7(10)4-8-6/h5-7H,1-4H3;4-6H,1-3H3,(H2,10,11,12,13,14);5H,10H2,1-4H3;5-6H,1-4H3;4-7H,1-3H3,(H,10,11);2*4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;4-7H,1-3H3;3-4H,1-2H3,(H2,12,13,14);4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3,(H,9,10,11);4-5H,1-3H3,(H2,9,10,11);2*4-6H,1-3H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10);3-5,10H,1-2H3;2*3-5H,1-2H3,(H,9,10)
InChIKeyHFVDXUGVDHBOFY-UHFFFAOYSA-N
MW3519.80 g/mol
LogP41.41
Rot. Bonds32

About 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 158466591) has the molecular formula C190H288F3N51O9S and a molecular weight of 3519.80 g/mol. Its IUPAC name is 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID158466591
Molecular FormulaC190H288F3N51O9S
Molecular Weight3519.80 g/mol
Exact Mass3517.33
IUPAC Name2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1c[nH]c(=S)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N)nc1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(N)nc1.CC(C)c1cnc(N)nc1C(F)(F)F.CC(C)c1cncc(=O)[nH]1.CC(C)c1ncncc1O.CNC(=O)Nc1ncc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1cc(C(C)C)ncn1.COc1ccc(C(C)C)cn1.COc1nc(N)ncc1C(C)C.COc1ncc(C(C)C)c(OC)n1.COc1ncc(C(C)C)cn1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1nc(C(C)C)nc(C)c1N.Cc1nc(N)ccc1C(C)C.Cc1nc(N)ccc1C(C)C.Cc1nc(N)ncc1C(C)C
InChIInChI=1S/C10H15N.C9H14N4O.C9H15N3.C9H14N2O2.3C9H14N2.C9H13NO.C9H13N.C8H10F3N3.C8H13N3O.2C8H13N3.2C8H12N2O.4C8H12N2.C7H11N3.2C7H10N2O.C7H10N2S/c1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-4-11-8(12-5-7)13-9(14)10-3;1-5(2)9-11-6(3)8(10)7(4)12-9;1-6(2)7-5-10-9(13-4)11-8(7)12-3;1-7(2)8-4-5-9(10-3)11-6-8;2*1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-4(2)5-3-13-7(12)14-6(5)8(9,10)11;1-5(2)6-4-10-8(9)11-7(6)12-3;1-6(2)7-4-10-8(9-3)11-5-7;1-5(2)7-4-10-8(9)11-6(7)3;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-9-7(8)10-4-6;1-5(2)7-6(10)3-8-4-9-7;1-5(2)6-3-8-4-7(10)9-6;1-5(2)6-3-9-7(10)4-8-6/h5-7H,1-4H3;4-6H,1-3H3,(H2,10,11,12,13,14);5H,10H2,1-4H3;5-6H,1-4H3;4-7H,1-3H3,(H,10,11);2*4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;4-7H,1-3H3;3-4H,1-2H3,(H2,12,13,14);4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3,(H,9,10,11);4-5H,1-3H3,(H2,9,10,11);2*4-6H,1-3H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10);3-5,10H,1-2H3;2*3-5H,1-2H3,(H,9,10)
InChIKeyHFVDXUGVDHBOFY-UHFFFAOYSA-N
XLogP41.41
TPSA900.80 Ų
H-Bond Donors17
H-Bond Acceptors57
Rotatable Bonds32
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003519.80
LogP ≤ 541.41
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 158466591) is 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)c1c[nH]c(=S)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N)nc1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(N)nc1.CC(C)c1cnc(N)nc1C(F)(F)F.CC(C)c1cncc(=O)[nH]1.CC(C)c1ncncc1O.CNC(=O)Nc1ncc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1cc(C(C)C)ncn1.COc1ccc(C(C)C)cn1.COc1nc(N)ncc1C(C)C.COc1ncc(C(C)C)c(OC)n1.COc1ncc(C(C)C)cn1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1nc(C(C)C)nc(C)c1N.Cc1nc(N)ccc1C(C)C.Cc1nc(N)ccc1C(C)C.Cc1nc(N)ncc1C(C)C.
What is the InChIKey of 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HFVDXUGVDHBOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H14N4O.C9H15N3.C9H14N2O2.3C9H14N2.C9H13NO.C9H13N.C8H10F3N3.C8H13N3O.2C8H13N3.2C8H12N2O.4C8H12N2.C7H11N3.2C7H10N2O.C7H10N2S/c1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-4-11-8(12-5-7)13-9(14)10-3;1-5(2)9-11-6(3)8(10)7(4)12-9;1-6(2)7-5-10-9(13-4)11-8(7)12-3;1-7(2)8-4-5-9(10-3)11-6-8;2*1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-4(2)5-3-13-7(12)14-6(5)8(9,10)11;1-5(2)6-4-10-8(9)11-7(6)12-3;1-6(2)7-4-10-8(9-3)11-5-7;1-5(2)7-4-10-8(9)11-6(7)3;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-9-7(8)10-4-6;1-5(2)7-6(10)3-8-4-9-7;1-5(2)6-3-8-4-7(10)9-6;1-5(2)6-3-9-7(10)4-8-6/h5-7H,1-4H3;4-6H,1-3H3,(H2,10,11,12,13,14);5H,10H2,1-4H3;5-6H,1-4H3;4-7H,1-3H3,(H,10,11);2*4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;4-7H,1-3H3;3-4H,1-2H3,(H2,12,13,14);4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3,(H,9,10,11);4-5H,1-3H3,(H2,9,10,11);2*4-6H,1-3H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10);3-5,10H,1-2H3;2*3-5H,1-2H3,(H,9,10).
What are the key properties of 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 3519.80 g/mol, XLogP of 41.41, 32 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-methoxy-5-propan-2-ylpyridine;4-methoxy-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;5-propan-2-yl-1H-pyrazine-2-thione;6-propan-2-yl-1H-pyrazin-2-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;5-propan-2-ylpyrimidin-2-amine;4-propan-2-ylpyrimidin-5-ol;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 158466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).