4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide

C12H11FN4O — CID 83567185

IUPAC4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2cccc(F)c2)nc1N
InChIInChI=1S/C12H11FN4O/c1-15-12(18)9-6-16-11(17-10(9)14)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,18)(H2,14,16,17)
InChIKeyLVDWRTHCARGUIF-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.22
Rot. Bonds2

About 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide

4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide (PubChem CID 83567185) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
PubChem CID83567185
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2cccc(F)c2)nc1N
InChIInChI=1S/C12H11FN4O/c1-15-12(18)9-6-16-11(17-10(9)14)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,18)(H2,14,16,17)
InChIKeyLVDWRTHCARGUIF-UHFFFAOYSA-N
XLogP1.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567202
4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567298
methyl 4-amino-2-(3-bromophenyl)pyrimidine-5-carboxylate
CID 116646647
4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 83567312
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567296
ethyl 4-(difluoromethyl)-2-(3-fluorophenyl)pyrimidine-5-carboxylate
CID 102973187
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluorophenyl)methanone
CID 11974833
N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099473
N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099553
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
CID 114207096

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide (CID 83567185) is 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2cccc(F)c2)nc1N.
What is the InChIKey of 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
The InChIKey is LVDWRTHCARGUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-15-12(18)9-6-16-11(17-10(9)14)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).