N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide

C13H17F3N4O — CID 122356681

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C13H17F3N4O/c1-8-11(19-10(21)7-13(14,15)16)9(2)18-12(17-8)20-5-3-4-6-20/h3-7H2,1-2H3,(H,19,21)
InChIKeyGWTMOPFPHPBFGT-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.58
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide (PubChem CID 122356681) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
PubChem CID122356681
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C13H17F3N4O/c1-8-11(19-10(21)7-13(14,15)16)9(2)18-12(17-8)20-5-3-4-6-20/h3-7H2,1-2H3,(H,19,21)
InChIKeyGWTMOPFPHPBFGT-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide (CID 122356681) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The InChIKey is GWTMOPFPHPBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8-11(19-10(21)7-13(14,15)16)9(2)18-12(17-8)20-5-3-4-6-20/h3-7H2,1-2H3,(H,19,21).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide has a molecular weight of 302.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122356681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).