2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine

C13H13Cl2N3O — CID 55080744

IUPAC2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C)nc(Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-7-4-10(11(19-3)6-9(7)14)17-12-5-8(2)16-13(15)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyNPNGQWVZKMWIRX-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine

2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine (PubChem CID 55080744) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
PubChem CID55080744
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C)nc(Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-7-4-10(11(19-3)6-9(7)14)17-12-5-8(2)16-13(15)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyNPNGQWVZKMWIRX-UHFFFAOYSA-N
XLogP4.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929358
2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927228
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63963848
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919708
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-amine
CID 112920523
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930901
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine (CID 55080744) is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine is COc1cc(Cl)c(C)cc1Nc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is NPNGQWVZKMWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7-4-10(11(19-3)6-9(7)14)17-12-5-8(2)16-13(15)18-12/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 55080744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).