2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide

C19H19F3N4O3 — CID 87427282

IUPAC2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OCC(F)F)c(F)c2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C19H19F3N4O3/c1-10-6-14(25-19(24-10)26-17(27)12-3-4-12)18(28)23-8-11-2-5-15(13(20)7-11)29-9-16(21)22/h2,5-7,12,16H,3-4,8-9H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyFGRVJDHCWGYCEL-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.85
Rot. Bonds8

About 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 87427282) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID87427282
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OCC(F)F)c(F)c2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C19H19F3N4O3/c1-10-6-14(25-19(24-10)26-17(27)12-3-4-12)18(28)23-8-11-2-5-15(13(20)7-11)29-9-16(21)22/h2,5-7,12,16H,3-4,8-9H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyFGRVJDHCWGYCEL-UHFFFAOYSA-N
XLogP2.85
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropanecarbonylamino)-N-[[3-fluoro-4-(2-fluorobut-3-enoxy)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 163887175
N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxamide
CID 87426869
2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 67508666
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 67510781
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 67509993
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide
CID 87426273
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67510555
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyrimidine-4-carboxamide
CID 137368052
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide (CID 87427282) is 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(OCC(F)F)c(F)c2)nc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is FGRVJDHCWGYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-10-6-14(25-19(24-10)26-17(27)12-3-4-12)18(28)23-8-11-2-5-15(13(20)7-11)29-9-16(21)22/h2,5-7,12,16H,3-4,8-9H2,1H3,(H,23,28)(H,24,25,26,27).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 87427282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).