4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine

C12H12ClN3O — CID 54581560

IUPAC4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(Cl)ccc1-c1cc(C)nc(N)n1
InChIInChI=1S/C12H12ClN3O/c1-7-5-10(16-12(14)15-7)9-4-3-8(13)6-11(9)17-2/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyDCSBASWDQOGJKW-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.70
Rot. Bonds2

About 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine

4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 54581560) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID54581560
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(Cl)ccc1-c1cc(C)nc(N)n1
InChIInChI=1S/C12H12ClN3O/c1-7-5-10(16-12(14)15-7)9-4-3-8(13)6-11(9)17-2/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyDCSBASWDQOGJKW-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine (CID 54581560) is 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine is COc1cc(Cl)ccc1-c1cc(C)nc(N)n1.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is DCSBASWDQOGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-5-10(16-12(14)15-7)9-4-3-8(13)6-11(9)17-2/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine?
4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 54581560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).