2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C15H19ClN4O — CID 112883262

IUPAC2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nccc(NCC(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10(2)9-18-14-6-7-17-15(20-14)19-12-8-11(16)4-5-13(12)21-3/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYXGDWPJZAQMDKE-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.95
Rot. Bonds6

About 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112883262) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112883262
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nccc(NCC(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10(2)9-18-14-6-7-17-15(20-14)19-12-8-11(16)4-5-13(12)21-3/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYXGDWPJZAQMDKE-UHFFFAOYSA-N
XLogP3.95
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883322
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868148
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902605
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904430
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902552
2-N-(2-tert-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903352
4-N-(2,5-dichlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905091
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112883262) is 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is COc1ccc(Cl)cc1Nc1nccc(NCC(C)C)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is YXGDWPJZAQMDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(2)9-18-14-6-7-17-15(20-14)19-12-8-11(16)4-5-13(12)21-3/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 306.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).