3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide

C16H14F2N4O2 — CID 90411492

IUPAC3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCON(C)C(=O)c1nc2ccnc(C)n2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N4O2/c1-9-19-5-4-13-20-14(16(23)21(2)24-3)15(22(9)13)10-6-11(17)8-12(18)7-10/h4-8H,1-3H3
InChIKeyFGPCNHCQSYYMSV-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.62
Rot. Bonds3

About 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide

3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 90411492) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID90411492
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCON(C)C(=O)c1nc2ccnc(C)n2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N4O2/c1-9-19-5-4-13-20-14(16(23)21(2)24-3)15(22(9)13)10-6-11(17)8-12(18)7-10/h4-8H,1-3H3
InChIKeyFGPCNHCQSYYMSV-UHFFFAOYSA-N
XLogP2.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 90411492) is 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide is CON(C)C(=O)c1nc2ccnc(C)n2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is FGPCNHCQSYYMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c1-9-19-5-4-13-20-14(16(23)21(2)24-3)15(22(9)13)10-6-11(17)8-12(18)7-10/h4-8H,1-3H3.
What are the key properties of 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide?
3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 90411492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).