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

C13H13Cl2N3O — CID 79075212

IUPAC2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc(Cl)ncc1C
InChIInChI=1S/C13H13Cl2N3O/c1-7-4-10(11(19-3)5-9(7)14)17-12-8(2)6-16-13(15)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyBORFIEVYJVHSEE-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.15
Rot. Bonds3

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

2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 79075212) 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)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID79075212
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc(Cl)ncc1C
InChIInChI=1S/C13H13Cl2N3O/c1-7-4-10(11(19-3)5-9(7)14)17-12-8(2)6-16-13(15)18-12/h4-6H,1-3H3,(H,16,17,18)
InChIKeyBORFIEVYJVHSEE-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

2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 79073354
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine (CID 79075212) is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine is COc1cc(Cl)c(C)cc1Nc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is BORFIEVYJVHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7-4-10(11(19-3)5-9(7)14)17-12-8(2)6-16-13(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)-5-methylpyrimidin-4-amine?
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-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)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79075212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).