N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide

C16H15FN4O — CID 59460829

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n3ccnc3n2)ccc1F
InChIInChI=1S/C16H15FN4O/c1-10-7-12(3-4-13(10)17)9-19-15(22)14-8-11(2)21-6-5-18-16(21)20-14/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyPQZDPISBGFMJEZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.42
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 59460829) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID59460829
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n3ccnc3n2)ccc1F
InChIInChI=1S/C16H15FN4O/c1-10-7-12(3-4-13(10)17)9-19-15(22)14-8-11(2)21-6-5-18-16(21)20-14/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyPQZDPISBGFMJEZ-UHFFFAOYSA-N
XLogP2.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide (CID 59460829) is N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide is Cc1cc(CNC(=O)c2cc(C)n3ccnc3n2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is PQZDPISBGFMJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10-7-12(3-4-13(10)17)9-19-15(22)14-8-11(2)21-6-5-18-16(21)20-14/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-5-methylimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 59460829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).