6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

C15H20ClN5O — CID 22547340

IUPAC6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(Nc2cc(Cl)ccc2C)c1N
InChIInChI=1S/C15H20ClN5O/c1-9-4-5-11(16)6-12(9)21-15-13(17)14(18-8-19-15)20-10(2)7-22-3/h4-6,8,10H,7,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyBHVYLYHNYVPBAD-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.21
Rot. Bonds6

About 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 22547340) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
PubChem CID22547340
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(Nc2cc(Cl)ccc2C)c1N
InChIInChI=1S/C15H20ClN5O/c1-9-4-5-11(16)6-12(9)21-15-13(17)14(18-8-19-15)20-10(2)7-22-3/h4-6,8,10H,7,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyBHVYLYHNYVPBAD-UHFFFAOYSA-N
XLogP3.21
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 22547276
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19136670
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (CID 22547340) is 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is COCC(C)Nc1ncnc(Nc2cc(Cl)ccc2C)c1N.
What is the InChIKey of 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is BHVYLYHNYVPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9-4-5-11(16)6-12(9)21-15-13(17)14(18-8-19-15)20-10(2)7-22-3/h4-6,8,10H,7,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 321.81 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).