5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine

C12H11F2N3O — CID 116977036

IUPAC5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(F)c(OC)cc2F)cn1
InChIInChI=1S/C12H11F2N3O/c1-15-12-16-5-7(6-17-12)8-3-10(14)11(18-2)4-9(8)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXNPZJJJSGKRGKL-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.47
Rot. Bonds3

About 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine

5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine (PubChem CID 116977036) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
PubChem CID116977036
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(F)c(OC)cc2F)cn1
InChIInChI=1S/C12H11F2N3O/c1-15-12-16-5-7(6-17-12)8-3-10(14)11(18-2)4-9(8)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXNPZJJJSGKRGKL-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977034
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879938
2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864535
4-(2,5-difluoro-4-methoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967804
2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol
CID 116889694
1,2-difluoro-4,5-dimethoxybenzene
CID 853175

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine (CID 116977036) is 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2cc(F)c(OC)cc2F)cn1.
What is the InChIKey of 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is XNPZJJJSGKRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-15-12-16-5-7(6-17-12)8-3-10(14)11(18-2)4-9(8)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine?
5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 251.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116977036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).