N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine

C13H14ClN3O — CID 58412675

IUPACN-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(C)ncc2C)ccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8-7-15-9(2)16-13(8)17-10-4-5-11(14)12(6-10)18-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyBTYPYKQGGLLMDH-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.50
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine

N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 58412675) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID58412675
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(C)ncc2C)ccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8-7-15-9(2)16-13(8)17-10-4-5-11(14)12(6-10)18-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyBTYPYKQGGLLMDH-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
5-[[2-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659151
4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 44816276
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107623693
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
4-N-(4-chloro-3-methoxyphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 107623619
N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412715
2-(4-chloro-3-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 107621979
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107623592

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine (CID 58412675) is N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine is COc1cc(Nc2nc(C)ncc2C)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is BTYPYKQGGLLMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-7-15-9(2)16-13(8)17-10-4-5-11(14)12(6-10)18-3/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 58412675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).