4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine

C15H20ClN5 — CID 22546528

IUPAC4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2ccc(Cl)cc2C)c1N
InChIInChI=1S/C15H20ClN5/c1-4-10(3)20-14-13(17)15(19-8-18-14)21-12-6-5-11(16)7-9(12)2/h5-8,10H,4,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyPGESJFQEWZSDEQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.97
Rot. Bonds5

About 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine

4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22546528) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22546528
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2ccc(Cl)cc2C)c1N
InChIInChI=1S/C15H20ClN5/c1-4-10(3)20-14-13(17)15(19-8-18-14)21-12-6-5-11(16)7-9(12)2/h5-8,10H,4,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyPGESJFQEWZSDEQ-UHFFFAOYSA-N
XLogP3.97
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
6-N-butyl-4-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546354
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541308
4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150593
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
1-[4-[[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22546451
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22546443
1-[3-[[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547542
N'-[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine (CID 22546528) is 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine is CCC(C)Nc1ncnc(Nc2ccc(Cl)cc2C)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is PGESJFQEWZSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-4-10(3)20-14-13(17)15(19-8-18-14)21-12-6-5-11(16)7-9(12)2/h5-8,10H,4,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 305.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).