6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C18H17ClN4O — CID 88571005

IUPAC6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)cc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H17ClN4O/c1-12-3-5-13(6-4-12)20-17-11-16(19)22-18(23-17)21-14-7-9-15(24-2)10-8-14/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyOWVNQAPBYNNWPQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.93
Rot. Bonds5

About 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 88571005) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID88571005
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)cc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H17ClN4O/c1-12-3-5-13(6-4-12)20-17-11-16(19)22-18(23-17)21-14-7-9-15(24-2)10-8-14/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyOWVNQAPBYNNWPQ-UHFFFAOYSA-N
XLogP4.93
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928025
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 88571005) is 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(Cl)cc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OWVNQAPBYNNWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-3-5-13(6-4-12)20-17-11-16(19)22-18(23-17)21-14-7-9-15(24-2)10-8-14/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 340.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 88571005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).