2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide

C13H16F3N3O2 — CID 74232881

IUPAC2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H16F3N3O2/c1-7(2)19(6-13(14,15)16)12(21)9-5-17-10(8-3-4-8)18-11(9)20/h5,7-8H,3-4,6H2,1-2H3,(H,17,18,20)
InChIKeyACQKRPWWYYXYAG-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.06
Rot. Bonds4

About 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide

2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 74232881) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
PubChem CID74232881
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H16F3N3O2/c1-7(2)19(6-13(14,15)16)12(21)9-5-17-10(8-3-4-8)18-11(9)20/h5,7-8H,3-4,6H2,1-2H3,(H,17,18,20)
InChIKeyACQKRPWWYYXYAG-UHFFFAOYSA-N
XLogP2.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-[(propan-2-ylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206307
2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 145879156
2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 155960636
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400
N-cyclopropyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916096
2-cyclopropyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872291
2-cyclopropyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872292
N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110855764
2-cyclopropyl-N,N-diethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136216386

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide (CID 74232881) is 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is ACQKRPWWYYXYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-7(2)19(6-13(14,15)16)12(21)9-5-17-10(8-3-4-8)18-11(9)20/h5,7-8H,3-4,6H2,1-2H3,(H,17,18,20).
What are the key properties of 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74232881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).