N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide

C17H16F3N3O2 — CID 3590115

IUPACN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESCc1cc(C)nc(N(C(=O)C2CC2)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N3O2/c1-10-9-11(2)22-16(21-10)23(15(24)12-3-4-12)13-5-7-14(8-6-13)25-17(18,19)20/h5-9,12H,3-4H2,1-2H3
InChIKeySHUHKVBNSMSAPY-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.07
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide

N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide (PubChem CID 3590115) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
PubChem CID3590115
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESCc1cc(C)nc(N(C(=O)C2CC2)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N3O2/c1-10-9-11(2)22-16(21-10)23(15(24)12-3-4-12)13-5-7-14(8-6-13)25-17(18,19)20/h5-9,12H,3-4H2,1-2H3
InChIKeySHUHKVBNSMSAPY-UHFFFAOYSA-N
XLogP4.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide 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

N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 4111851
N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide
CID 134261177
2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67510555
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105406
2-[4-(trifluoromethoxy)phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78884857
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
[6-(cyclopropanecarbonylamino)-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
CID 130429797
1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
CID 157489209

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide (CID 3590115) is N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide is Cc1cc(C)nc(N(C(=O)C2CC2)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is SHUHKVBNSMSAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10-9-11(2)22-16(21-10)23(15(24)12-3-4-12)13-5-7-14(8-6-13)25-17(18,19)20/h5-9,12H,3-4H2,1-2H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 351.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 3590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).