N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine

C12H12ClN3O — CID 14327548

IUPACN-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-11(17-2)16-12(14-8)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeySLVZXTZPLAONFN-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.19
Rot. Bonds3

About N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine

N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 14327548) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID14327548
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-11(17-2)16-12(14-8)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeySLVZXTZPLAONFN-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

2-chloro-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]benzoic acid
CID 115972944
N-(3-chloro-4-fluorophenyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112636601
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911795
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
2-N-(4-chlorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922750
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
2-N-(4-chlorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920981
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine (CID 14327548) is N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is SLVZXTZPLAONFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-7-11(17-2)16-12(14-8)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine?
N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-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-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 14327548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).