N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine

C12H12ClN3O — CID 16805593

IUPACN-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)ncn2)cc1Cl
InChIInChI=1S/C12H12ClN3O/c1-8-5-12(15-7-14-8)16-9-3-4-11(17-2)10(13)6-9/h3-7H,1-2H3,(H,14,15,16)
InChIKeyYMAIQPSWIQKFHP-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.19
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 16805593) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID16805593
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)ncn2)cc1Cl
InChIInChI=1S/C12H12ClN3O/c1-8-5-12(15-7-14-8)16-9-3-4-11(17-2)10(13)6-9/h3-7H,1-2H3,(H,14,15,16)
InChIKeyYMAIQPSWIQKFHP-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chloro-4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112866035
4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80762786
4-[[6-(3-chloro-4-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192962
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866008
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866020
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859096
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
2-chloro-4-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 61399214
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108756608

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 16805593) is N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(Nc2cc(C)ncn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is YMAIQPSWIQKFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-5-12(15-7-14-8)16-9-3-4-11(17-2)10(13)6-9/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 16805593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).