(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C18H19F3N4O2 — CID 59374524

IUPAC(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1
InChIInChI=1S/C18H19F3N4O2/c1-27-13-6-4-12(5-7-13)16-22-9-8-15(24-16)25-10-2-3-14(25)17(26)23-11-18(19,20)21/h4-9,14H,2-3,10-11H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyTUFDDTAPVMJIKS-CQSZACIVSA-N
MW380.37 g/mol
LogP2.80
Rot. Bonds5

About (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 59374524) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID59374524
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1
InChIInChI=1S/C18H19F3N4O2/c1-27-13-6-4-12(5-7-13)16-22-9-8-15(24-16)25-10-2-3-14(25)17(26)23-11-18(19,20)21/h4-9,14H,2-3,10-11H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyTUFDDTAPVMJIKS-CQSZACIVSA-N
XLogP2.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 59374524) is (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is COc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1.
What is the InChIKey of (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is TUFDDTAPVMJIKS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-27-13-6-4-12(5-7-13)16-22-9-8-15(24-16)25-10-2-3-14(25)17(26)23-11-18(19,20)21/h4-9,14H,2-3,10-11H2,1H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59374524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).