bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine

C121H184F2N44O7 — CID 159383304

IUPACbis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine
SMILESC=C1N=C(N)C(F)=CN1C(C)(C)C.C=C1N=C(N)C=CN1.C=C1NC(=O)C(C)=CN1C(C)(C)C.C=C1NC(=O)C(F)=CN1C(C)(C)C.C=C1NC(=O)C=CN1C(C)(C)C.CC.CC(C)(C)n1ccc(N)nc1=O.CC(C)(C)n1ccc(N)nc1=O.CC(C)(C)n1cnc2c(N)ccnc21.CC(C)(C)n1cnc2c(N)ccnc21.COc1nc(C)nc2c1ncn2C(C)(C)C.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.2C10H15N5.C10H14N4O.2C10H14N4.C10H16N2O.C9H14FN3.C9H13FN2O.C9H14N2O.2C8H13N3O.C5H7N3.C2H6/c1-7-13-9-8(10(14-7)16-5)12-6-15(9)11(2,3)4;2*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;2*1-10(2,3)14-6-13-8-7(11)4-5-12-9(8)14;1-7-6-12(10(3,4)5)8(2)11-9(7)13;1-6-12-8(11)7(10)5-13(6)9(2,3)4;1-6-11-8(13)7(10)5-12(6)9(2,3)4;1-7-10-8(12)5-6-11(7)9(2,3)4;2*1-8(2,3)11-5-4-6(9)10-7(11)12;1-4-7-3-2-5(6)8-4;1-2/h6H,1-5H3;2*5H,1-4H3,(H2,11,13,14);5H,1-4H3,(H,12,13,15);2*4-6H,1-3H3,(H2,11,12);6H,2H2,1,3-5H3,(H,11,13);5H,1H2,2-4H3,(H2,11,12);5H,1H2,2-4H3,(H,11,13);5-6H,1H2,2-4H3,(H,10,12);2*4-5H,1-3H3,(H2,9,10,12);2-3,7H,1H2,(H2,6,8);1-2H3
InChIKeyLLEIWAFZNAYPKJ-UHFFFAOYSA-N
MW2405.10 g/mol
LogP17.71
Rot. Bonds1

About bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine

bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine (PubChem CID 159383304) has the molecular formula C121H184F2N44O7 and a molecular weight of 2405.10 g/mol. Its IUPAC name is bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine.

Molecular Properties

Compound Namebis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine
PubChem CID159383304
Molecular FormulaC121H184F2N44O7
Molecular Weight2405.10 g/mol
Exact Mass2403.54
IUPAC Namebis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine
SMILESC=C1N=C(N)C(F)=CN1C(C)(C)C.C=C1N=C(N)C=CN1.C=C1NC(=O)C(C)=CN1C(C)(C)C.C=C1NC(=O)C(F)=CN1C(C)(C)C.C=C1NC(=O)C=CN1C(C)(C)C.CC.CC(C)(C)n1ccc(N)nc1=O.CC(C)(C)n1ccc(N)nc1=O.CC(C)(C)n1cnc2c(N)ccnc21.CC(C)(C)n1cnc2c(N)ccnc21.COc1nc(C)nc2c1ncn2C(C)(C)C.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.2C10H15N5.C10H14N4O.2C10H14N4.C10H16N2O.C9H14FN3.C9H13FN2O.C9H14N2O.2C8H13N3O.C5H7N3.C2H6/c1-7-13-9-8(10(14-7)16-5)12-6-15(9)11(2,3)4;2*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;2*1-10(2,3)14-6-13-8-7(11)4-5-12-9(8)14;1-7-6-12(10(3,4)5)8(2)11-9(7)13;1-6-12-8(11)7(10)5-13(6)9(2,3)4;1-6-11-8(13)7(10)5-12(6)9(2,3)4;1-7-10-8(12)5-6-11(7)9(2,3)4;2*1-8(2,3)11-5-4-6(9)10-7(11)12;1-4-7-3-2-5(6)8-4;1-2/h6H,1-5H3;2*5H,1-4H3,(H2,11,13,14);5H,1-4H3,(H,12,13,15);2*4-6H,1-3H3,(H2,11,12);6H,2H2,1,3-5H3,(H,11,13);5H,1H2,2-4H3,(H2,11,12);5H,1H2,2-4H3,(H,11,13);5-6H,1H2,2-4H3,(H,10,12);2*4-5H,1-3H3,(H2,9,10,12);2-3,7H,1H2,(H2,6,8);1-2H3
InChIKeyLLEIWAFZNAYPKJ-UHFFFAOYSA-N
XLogP17.71
TPSA679.97 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds1
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002405.10
LogP ≤ 517.71
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine?
The IUPAC name of bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine (CID 159383304) is bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine.
What is the SMILES notation for bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine?
The canonical SMILES for bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine is C=C1N=C(N)C(F)=CN1C(C)(C)C.C=C1N=C(N)C=CN1.C=C1NC(=O)C(C)=CN1C(C)(C)C.C=C1NC(=O)C(F)=CN1C(C)(C)C.C=C1NC(=O)C=CN1C(C)(C)C.CC.CC(C)(C)n1ccc(N)nc1=O.CC(C)(C)n1ccc(N)nc1=O.CC(C)(C)n1cnc2c(N)ccnc21.CC(C)(C)n1cnc2c(N)ccnc21.COc1nc(C)nc2c1ncn2C(C)(C)C.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine?
The InChIKey is LLEIWAFZNAYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.2C10H15N5.C10H14N4O.2C10H14N4.C10H16N2O.C9H14FN3.C9H13FN2O.C9H14N2O.2C8H13N3O.C5H7N3.C2H6/c1-7-13-9-8(10(14-7)16-5)12-6-15(9)11(2,3)4;2*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;2*1-10(2,3)14-6-13-8-7(11)4-5-12-9(8)14;1-7-6-12(10(3,4)5)8(2)11-9(7)13;1-6-12-8(11)7(10)5-13(6)9(2,3)4;1-6-11-8(13)7(10)5-12(6)9(2,3)4;1-7-10-8(12)5-6-11(7)9(2,3)4;2*1-8(2,3)11-5-4-6(9)10-7(11)12;1-4-7-3-2-5(6)8-4;1-2/h6H,1-5H3;2*5H,1-4H3,(H2,11,13,14);5H,1-4H3,(H,12,13,15);2*4-6H,1-3H3,(H2,11,12);6H,2H2,1,3-5H3,(H,11,13);5H,1H2,2-4H3,(H2,11,12);5H,1H2,2-4H3,(H,11,13);5-6H,1H2,2-4H3,(H,10,12);2*4-5H,1-3H3,(H2,9,10,12);2-3,7H,1H2,(H2,6,8);1-2H3.
What are the key properties of bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine?
bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine has a molecular weight of 2405.10 g/mol, XLogP of 17.71, 1 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-1-tert-butylpyrimidin-2-one);1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-amine;1-tert-butyl-5-fluoro-2-methylidenepyrimidin-4-one;bis(3-tert-butylimidazo[4,5-b]pyridin-7-amine);9-tert-butyl-6-methoxy-2-methylpurine;1-tert-butyl-2-methylidenepyrimidin-4-one;1-tert-butyl-5-methyl-2-methylidenepyrimidin-4-one;bis(9-tert-butyl-2-methylpurin-6-amine);9-tert-butyl-2-methyl-1H-purin-6-one;ethane;2-methylidene-1H-pyrimidin-4-amine is sourced from PubChem (CID 159383304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).