(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C12H14F3N3O — CID 165405002

IUPAC(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCc1ncc([C@@H](CC(N)=O)C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H14F3N3O/c1-7-17-5-8(6-18-7)9(4-10(16)19)11(2-3-11)12(13,14)15/h5-6,9H,2-4H2,1H3,(H2,16,19)/t9-/m1/s1
InChIKeyPVZBELRPOFDYID-SECBINFHSA-N
MW273.26 g/mol
LogP2.09
Rot. Bonds4

About (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide

(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 165405002) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID165405002
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCc1ncc([C@@H](CC(N)=O)C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H14F3N3O/c1-7-17-5-8(6-18-7)9(4-10(16)19)11(2-3-11)12(13,14)15/h5-6,9H,2-4H2,1H3,(H2,16,19)/t9-/m1/s1
InChIKeyPVZBELRPOFDYID-SECBINFHSA-N
XLogP2.09
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 165405002) is (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide is Cc1ncc([C@@H](CC(N)=O)C2(C(F)(F)F)CC2)cn1.
What is the InChIKey of (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is PVZBELRPOFDYID-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7-17-5-8(6-18-7)9(4-10(16)19)11(2-3-11)12(13,14)15/h5-6,9H,2-4H2,1H3,(H2,16,19)/t9-/m1/s1.
What are the key properties of (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 273.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 165405002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).