2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine

C12H12ClN3O — CID 62319129

IUPAC2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3O/c1-17-7-10-6-11(14)16-12(15-10)8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyVRQPMHWZHUXTML-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.53
Rot. Bonds3

About 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 62319129) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID62319129
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3O/c1-17-7-10-6-11(14)16-12(15-10)8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyVRQPMHWZHUXTML-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 62319129) is 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is VRQPMHWZHUXTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-17-7-10-6-11(14)16-12(15-10)8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 62319129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).