4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

C17H15ClN4O — CID 112865788

IUPAC4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3cccc(Cl)c3)ncn2)c1
InChIInChI=1S/C17H15ClN4O/c1-23-15-7-3-6-14(9-15)22-17-10-16(19-11-20-17)21-13-5-2-4-12(18)8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyXOHURCPHBLRKTQ-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.63
Rot. Bonds5

About 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865788) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865788
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3cccc(Cl)c3)ncn2)c1
InChIInChI=1S/C17H15ClN4O/c1-23-15-7-3-6-14(9-15)22-17-10-16(19-11-20-17)21-13-5-2-4-12(18)8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyXOHURCPHBLRKTQ-UHFFFAOYSA-N
XLogP4.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844
4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828
N-(3-methoxyphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347072
N2-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrimidine-2,4-diamine
CID 15956127
N-[2-(3-methoxyanilino)-4-pyrimidinyl]-N-(3-methoxyphenyl)amine
CID 16044634
1-(2-Chloro-5-methoxyphenyl)-3-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 56594743
1-(2,6-Dichloro-3-methoxyphenyl)-3-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 56594744
4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 57394236
1-(2,6-Dichlorophenyl)-3-[6-(2,5-dimethoxyanilino)pyrimidin-4-yl]urea
CID 149611945
1-(2,6-Dichlorophenyl)-3-[6-(3,5-dimethoxyanilino)pyrimidin-4-yl]urea
CID 152685456
5-chloro-4-N-(3-methoxyphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665840

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (CID 112865788) is 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is COc1cccc(Nc2cc(Nc3cccc(Cl)c3)ncn2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is XOHURCPHBLRKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-23-15-7-3-6-14(9-15)22-17-10-16(19-11-20-17)21-13-5-2-4-12(18)8-13/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 326.79 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).