2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide

C14H18F3N3O — CID 131906175

IUPAC2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CC2(C)C)n1
InChIInChI=1S/C14H18F3N3O/c1-8-6-10(14(15,16)17)20-11(19-8)4-5-18-12(21)9-7-13(9,2)3/h6,9H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyUCFVLLMCHAEKRI-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.51
Rot. Bonds4

About 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 131906175) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID131906175
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CC2(C)C)n1
InChIInChI=1S/C14H18F3N3O/c1-8-6-10(14(15,16)17)20-11(19-8)4-5-18-12(21)9-7-13(9,2)3/h6,9H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyUCFVLLMCHAEKRI-UHFFFAOYSA-N
XLogP2.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 131906175) is 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C2CC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is UCFVLLMCHAEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-8-6-10(14(15,16)17)20-11(19-8)4-5-18-12(21)9-7-13(9,2)3/h6,9H,4-5,7H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 131906175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).