2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine

C12H12ClFN4O — CID 74234045

IUPAC2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCOc1cc(-c2ncc(F)c(N(C)C)n2)c(Cl)cn1
InChIInChI=1S/C12H12ClFN4O/c1-18(2)12-9(14)6-16-11(17-12)7-4-10(19-3)15-5-8(7)13/h4-6H,1-3H3
InChIKeyHTAUAHWTKBVCJK-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.41
Rot. Bonds3

About 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine

2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 74234045) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID74234045
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCOc1cc(-c2ncc(F)c(N(C)C)n2)c(Cl)cn1
InChIInChI=1S/C12H12ClFN4O/c1-18(2)12-9(14)6-16-11(17-12)7-4-10(19-3)15-5-8(7)13/h4-6H,1-3H3
InChIKeyHTAUAHWTKBVCJK-UHFFFAOYSA-N
XLogP2.41
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine (CID 74234045) is 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine is COc1cc(-c2ncc(F)c(N(C)C)n2)c(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is HTAUAHWTKBVCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-18(2)12-9(14)6-16-11(17-12)7-4-10(19-3)15-5-8(7)13/h4-6H,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine?
2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 282.71 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 74234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).