2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine

C12H11ClFN3O — CID 55180826

IUPAC2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-18-6-8-5-11(15)17-12(16-8)7-2-3-10(14)9(13)4-7/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyMCZSKQMVBJMJPH-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.66
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 55180826) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID55180826
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-18-6-8-5-11(15)17-12(16-8)7-2-3-10(14)9(13)4-7/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyMCZSKQMVBJMJPH-UHFFFAOYSA-N
XLogP2.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 55180826) is 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is MCZSKQMVBJMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-18-6-8-5-11(15)17-12(16-8)7-2-3-10(14)9(13)4-7/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 55180826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).