2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine

C130H177N27O7 — CID 157166534

IUPAC2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(cnn2C2CCOCC2)c1.CC(C)c1ccnc(-c2cnn(C(C)(C)C)c2)n1.CC(C)c1ccnc(C2=CCN(C)CC2)n1.CC(C)c1ccnc(C2=CCOCC2)n1.CC(C)c1ccnc(N2CCN(C)CC2)n1.CC(C)c1ccnc(N2CCOCC2)n1.COc1cc(-c2cc(C(C)C)ccn2)cnc1OC.COc1ccc(-c2cc(C(C)C)ccn2)cc1OC.Cc1c(-c2nccc(C(C)C)n2)cnn1C
InChIInChI=1S/C16H19NO2.C15H18N2O2.C15H20N2O.C14H20N4.C13H19N3.C12H16N4.C12H20N4.C12H16N2O.C11H17N3O.C10H12N2/c1-11(2)12-7-8-17-14(9-12)13-5-6-15(18-3)16(10-13)19-4;1-10(2)11-5-6-16-13(7-11)12-8-14(18-3)15(19-4)17-9-12;1-11(2)12-3-4-15-13(9-12)10-16-17(15)14-5-7-18-8-6-14;1-10(2)12-6-7-15-13(17-12)11-8-16-18(9-11)14(3,4)5;1-10(2)12-4-7-14-13(15-12)11-5-8-16(3)9-6-11;1-8(2)11-5-6-13-12(15-11)10-7-14-16(4)9(10)3;1-10(2)11-4-5-13-12(14-11)16-8-6-15(3)7-9-16;1-9(2)11-3-6-13-12(14-11)10-4-7-15-8-5-10;1-9(2)10-3-4-12-11(13-10)14-5-7-15-8-6-14;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h5-11H,1-4H3;5-10H,1-4H3;3-4,9-11,14H,5-8H2,1-2H3;6-10H,1-5H3;4-5,7,10H,6,8-9H2,1-3H3;5-8H,1-4H3;4-5,10H,6-9H2,1-3H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,9H,5-8H2,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyAMZAKWJMAODJKQ-UHFFFAOYSA-N
MW2230.03 g/mol
LogP26.41
Rot. Bonds23

About 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine

2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine (PubChem CID 157166534) has the molecular formula C130H177N27O7 and a molecular weight of 2230.03 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine
PubChem CID157166534
Molecular FormulaC130H177N27O7
Molecular Weight2230.03 g/mol
Exact Mass2228.43
IUPAC Name2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(cnn2C2CCOCC2)c1.CC(C)c1ccnc(-c2cnn(C(C)(C)C)c2)n1.CC(C)c1ccnc(C2=CCN(C)CC2)n1.CC(C)c1ccnc(C2=CCOCC2)n1.CC(C)c1ccnc(N2CCN(C)CC2)n1.CC(C)c1ccnc(N2CCOCC2)n1.COc1cc(-c2cc(C(C)C)ccn2)cnc1OC.COc1ccc(-c2cc(C(C)C)ccn2)cc1OC.Cc1c(-c2nccc(C(C)C)n2)cnn1C
InChIInChI=1S/C16H19NO2.C15H18N2O2.C15H20N2O.C14H20N4.C13H19N3.C12H16N4.C12H20N4.C12H16N2O.C11H17N3O.C10H12N2/c1-11(2)12-7-8-17-14(9-12)13-5-6-15(18-3)16(10-13)19-4;1-10(2)11-5-6-16-13(7-11)12-8-14(18-3)15(19-4)17-9-12;1-11(2)12-3-4-15-13(9-12)10-16-17(15)14-5-7-18-8-6-14;1-10(2)12-6-7-15-13(17-12)11-8-16-18(9-11)14(3,4)5;1-10(2)12-4-7-14-13(15-12)11-5-8-16(3)9-6-11;1-8(2)11-5-6-13-12(15-11)10-7-14-16(4)9(10)3;1-10(2)11-4-5-13-12(14-11)16-8-6-15(3)7-9-16;1-9(2)11-3-6-13-12(14-11)10-4-7-15-8-5-10;1-9(2)10-3-4-12-11(13-10)14-5-7-15-8-6-14;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h5-11H,1-4H3;5-10H,1-4H3;3-4,9-11,14H,5-8H2,1-2H3;6-10H,1-5H3;4-5,7,10H,6,8-9H2,1-3H3;5-8H,1-4H3;4-5,10H,6-9H2,1-3H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,9H,5-8H2,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyAMZAKWJMAODJKQ-UHFFFAOYSA-N
XLogP26.41
TPSA353.06 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.03
LogP ≤ 526.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine (CID 157166534) is 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine is CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(cnn2C2CCOCC2)c1.CC(C)c1ccnc(-c2cnn(C(C)(C)C)c2)n1.CC(C)c1ccnc(C2=CCN(C)CC2)n1.CC(C)c1ccnc(C2=CCOCC2)n1.CC(C)c1ccnc(N2CCN(C)CC2)n1.CC(C)c1ccnc(N2CCOCC2)n1.COc1cc(-c2cc(C(C)C)ccn2)cnc1OC.COc1ccc(-c2cc(C(C)C)ccn2)cc1OC.Cc1c(-c2nccc(C(C)C)n2)cnn1C.
What is the InChIKey of 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine?
The InChIKey is AMZAKWJMAODJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C15H18N2O2.C15H20N2O.C14H20N4.C13H19N3.C12H16N4.C12H20N4.C12H16N2O.C11H17N3O.C10H12N2/c1-11(2)12-7-8-17-14(9-12)13-5-6-15(18-3)16(10-13)19-4;1-10(2)11-5-6-16-13(7-11)12-8-14(18-3)15(19-4)17-9-12;1-11(2)12-3-4-15-13(9-12)10-16-17(15)14-5-7-18-8-6-14;1-10(2)12-6-7-15-13(17-12)11-8-16-18(9-11)14(3,4)5;1-10(2)12-4-7-14-13(15-12)11-5-8-16(3)9-6-11;1-8(2)11-5-6-13-12(15-11)10-7-14-16(4)9(10)3;1-10(2)11-4-5-13-12(14-11)16-8-6-15(3)7-9-16;1-9(2)11-3-6-13-12(14-11)10-4-7-15-8-5-10;1-9(2)10-3-4-12-11(13-10)14-5-7-15-8-6-14;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h5-11H,1-4H3;5-10H,1-4H3;3-4,9-11,14H,5-8H2,1-2H3;6-10H,1-5H3;4-5,7,10H,6,8-9H2,1-3H3;5-8H,1-4H3;4-5,10H,6-9H2,1-3H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,9H,5-8H2,1-2H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine?
2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine has a molecular weight of 2230.03 g/mol, XLogP of 26.41, 23 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 157166534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).