5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C17H22N4 — CID 71158953

IUPAC5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)=C(C)Nc1ncc(C)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H22N4/c1-11(2)14(5)19-17-18-10-13(4)16(21-17)20-15-8-6-12(3)7-9-15/h6-10H,1-5H3,(H2,18,19,20,21)
InChIKeyZFPOCPYMSRXPIB-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.56
Rot. Bonds4

About 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 71158953) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID71158953
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)=C(C)Nc1ncc(C)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H22N4/c1-11(2)14(5)19-17-18-10-13(4)16(21-17)20-15-8-6-12(3)7-9-15/h6-10H,1-5H3,(H2,18,19,20,21)
InChIKeyZFPOCPYMSRXPIB-UHFFFAOYSA-N
XLogP4.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
4-[4-(4-acetamidoanilino)-5-methylpyrimidin-2-yl]benzamide
CID 117086677
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
2-[4-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80908431
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 71158953) is 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is CC(C)=C(C)Nc1ncc(C)c(Nc2ccc(C)cc2)n1.
What is the InChIKey of 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZFPOCPYMSRXPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(2)14(5)19-17-18-10-13(4)16(21-17)20-15-8-6-12(3)7-9-15/h6-10H,1-5H3,(H2,18,19,20,21).
What are the key properties of 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(3-methylbut-2-en-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71158953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).