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

C18H17ClN4O2 — CID 53214673

IUPAC4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2nc(N)cc(Nc3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H17ClN4O2/c1-24-14-7-6-11(8-15(14)25-2)18-22-16(20)10-17(23-18)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H3,20,21,22,23)
InChIKeyADLUDFHOBYGIJY-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.14
Rot. Bonds5

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

4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 53214673) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID53214673
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2nc(N)cc(Nc3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H17ClN4O2/c1-24-14-7-6-11(8-15(14)25-2)18-22-16(20)10-17(23-18)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H3,20,21,22,23)
InChIKeyADLUDFHOBYGIJY-UHFFFAOYSA-N
XLogP4.14
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 53214677
1-[3-[[6-amino-2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 53214686
2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214669
2-(3,4-dimethoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214670
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-chlorophenyl)-2-phenylpyrimidine-4,6-diamine
CID 171320844
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 53214673) is 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(-c2nc(N)cc(Nc3cccc(Cl)c3)n2)cc1OC.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is ADLUDFHOBYGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-24-14-7-6-11(8-15(14)25-2)18-22-16(20)10-17(23-18)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H3,20,21,22,23).
What are the key properties of 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 356.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53214673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).