4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C19H19ClN4O — CID 112859096

IUPAC4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCc3cccc(C)c3)ncn2)cc1Cl
InChIInChI=1S/C19H19ClN4O/c1-13-4-3-5-14(8-13)11-21-18-10-19(23-12-22-18)24-15-6-7-17(25-2)16(20)9-15/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeySCWQOISRYJIQPX-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.80
Rot. Bonds6

About 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859096) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859096
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCc3cccc(C)c3)ncn2)cc1Cl
InChIInChI=1S/C19H19ClN4O/c1-13-4-3-5-14(8-13)11-21-18-10-19(23-12-22-18)24-15-6-7-17(25-2)16(20)9-15/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeySCWQOISRYJIQPX-UHFFFAOYSA-N
XLogP4.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80762786
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862591
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-(3-chloro-4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112866035

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112859096) is 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is COc1ccc(Nc2cc(NCc3cccc(C)c3)ncn2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is SCWQOISRYJIQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-4-3-5-14(8-13)11-21-18-10-19(23-12-22-18)24-15-6-7-17(25-2)16(20)9-15/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 354.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).