N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide

C14H16F3N3O — CID 71797030

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)11-7-10(8-1-2-8)19-12(20-11)5-6-18-13(21)9-3-4-9/h7-9H,1-6H2,(H,18,21)
InChIKeyHAWCYDQQGCJKOQ-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71797030) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID71797030
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)11-7-10(8-1-2-8)19-12(20-11)5-6-18-13(21)9-3-4-9/h7-9H,1-6H2,(H,18,21)
InChIKeyHAWCYDQQGCJKOQ-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide (CID 71797030) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is HAWCYDQQGCJKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)11-7-10(8-1-2-8)19-12(20-11)5-6-18-13(21)9-3-4-9/h7-9H,1-6H2,(H,18,21).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 299.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71797030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).