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

C12H11FN4O — CID 83567202

IUPAC4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C12H11FN4O/c1-15-12(18)9-6-16-11(17-10(9)14)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,18)(H2,14,16,17)
InChIKeyXLUKEQDPVRNLSW-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.22
Rot. Bonds2

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

4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide (PubChem CID 83567202) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
PubChem CID83567202
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C12H11FN4O/c1-15-12(18)9-6-16-11(17-10(9)14)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,18)(H2,14,16,17)
InChIKeyXLUKEQDPVRNLSW-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide (CID 83567202) is 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
The InChIKey is XLUKEQDPVRNLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-15-12(18)9-6-16-11(17-10(9)14)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide?
4-amino-2-(4-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-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).