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

C12H12ClN3O — CID 11957092

IUPAC4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cccc(Cl)c1-c1cc(C)nc(N)n1
InChIInChI=1S/C12H12ClN3O/c1-7-6-9(16-12(14)15-7)11-8(13)4-3-5-10(11)17-2/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyWDSJDYMQNSBCCC-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.70
Rot. Bonds2

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

4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 11957092) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID11957092
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cccc(Cl)c1-c1cc(C)nc(N)n1
InChIInChI=1S/C12H12ClN3O/c1-7-6-9(16-12(14)15-7)11-8(13)4-3-5-10(11)17-2/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyWDSJDYMQNSBCCC-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-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine (CID 11957092) is 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine is COc1cccc(Cl)c1-c1cc(C)nc(N)n1.
What is the InChIKey of 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is WDSJDYMQNSBCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-6-9(16-12(14)15-7)11-8(13)4-3-5-10(11)17-2/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine?
4-(2-chloro-6-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-(2-chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 11957092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).