2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide

C8H7ClF2N4O2 — CID 172612164

IUPAC2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(Cl)ncc1NC(=O)C(F)F
InChIInChI=1S/C8H7ClF2N4O2/c1-12-6(16)4-3(2-13-8(9)15-4)14-7(17)5(10)11/h2,5H,1H3,(H,12,16)(H,14,17)
InChIKeyKGEFLCMSANSAEI-UHFFFAOYSA-N
MW264.62 g/mol
LogP0.69
Rot. Bonds3

About 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide

2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide (PubChem CID 172612164) has the molecular formula C8H7ClF2N4O2 and a molecular weight of 264.62 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide
PubChem CID172612164
Molecular FormulaC8H7ClF2N4O2
Molecular Weight264.62 g/mol
Exact Mass264.02
IUPAC Name2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(Cl)ncc1NC(=O)C(F)F
InChIInChI=1S/C8H7ClF2N4O2/c1-12-6(16)4-3(2-13-8(9)15-4)14-7(17)5(10)11/h2,5H,1H3,(H,12,16)(H,14,17)
InChIKeyKGEFLCMSANSAEI-UHFFFAOYSA-N
XLogP0.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.62
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide (CID 172612164) is 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide is CNC(=O)c1nc(Cl)ncc1NC(=O)C(F)F.
What is the InChIKey of 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is KGEFLCMSANSAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4O2/c1-12-6(16)4-3(2-13-8(9)15-4)14-7(17)5(10)11/h2,5H,1H3,(H,12,16)(H,14,17).
What are the key properties of 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide?
2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 264.62 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 172612164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).