2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

C18H17ClN4O2 — CID 112903721

IUPAC2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Nc3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H17ClN4O2/c1-24-15-7-6-14(11-16(15)25-2)21-17-8-9-20-18(23-17)22-13-5-3-4-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyZHXTYGNNBGMZGI-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.63
Rot. Bonds6

About 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112903721) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112903721
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Nc3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H17ClN4O2/c1-24-15-7-6-14(11-16(15)25-2)21-17-8-9-20-18(23-17)22-13-5-3-4-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyZHXTYGNNBGMZGI-UHFFFAOYSA-N
XLogP4.63
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902552
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112904331
N-[3-[[2-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112904405
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
2-N-(4-tert-butylphenyl)-4-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903407
amino-[5-chloro-3-[[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]methanol
CID 176696504

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine (CID 112903721) is 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2ccnc(Nc3cccc(Cl)c3)n2)cc1OC.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZHXTYGNNBGMZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-24-15-7-6-14(11-16(15)25-2)21-17-8-9-20-18(23-17)22-13-5-3-4-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 356.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).