4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine

C19H19ClN4O2 — CID 112865874

IUPAC4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(Cl)c3C)ncn2)cc1OC
InChIInChI=1S/C19H19ClN4O2/c1-12-14(20)5-4-6-15(12)24-19-10-18(21-11-22-19)23-13-7-8-16(25-2)17(9-13)26-3/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyXNPKDZJJWNZAOM-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.94
Rot. Bonds6

About 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine

4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865874) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865874
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(Cl)c3C)ncn2)cc1OC
InChIInChI=1S/C19H19ClN4O2/c1-12-14(20)5-4-6-15(12)24-19-10-18(21-11-22-19)23-13-7-8-16(25-2)17(9-13)26-3/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyXNPKDZJJWNZAOM-UHFFFAOYSA-N
XLogP4.94
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
6-N-(3,4-dimethoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112866558
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112864576

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 112865874) is 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3cccc(Cl)c3C)ncn2)cc1OC.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is XNPKDZJJWNZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-14(20)5-4-6-15(12)24-19-10-18(21-11-22-19)23-13-7-8-16(25-2)17(9-13)26-3/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 370.84 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).