6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine

C18H17ClN4O2 — CID 112865751

IUPAC6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3ccccc3Cl)ncn2)c1
InChIInChI=1S/C18H17ClN4O2/c1-24-12-7-8-16(25-2)15(9-12)23-18-10-17(20-11-21-18)22-14-6-4-3-5-13(14)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyZKRBTHOLMHFDAB-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.63
Rot. Bonds6

About 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine

6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865751) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865751
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3ccccc3Cl)ncn2)c1
InChIInChI=1S/C18H17ClN4O2/c1-24-12-7-8-16(25-2)15(9-12)23-18-10-17(20-11-21-18)22-14-6-4-3-5-13(14)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyZKRBTHOLMHFDAB-UHFFFAOYSA-N
XLogP4.63
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.63
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,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860141
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109199091

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 112865751) is 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(Nc3ccccc3Cl)ncn2)c1.
What is the InChIKey of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZKRBTHOLMHFDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-24-12-7-8-16(25-2)15(9-12)23-18-10-17(20-11-21-18)22-14-6-4-3-5-13(14)19/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 356.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).