(2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C12H15F3N4O2 — CID 32878064

IUPAC(2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccnc(N2CCC[C@H]2C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O2/c1-21-9-4-5-16-11(18-9)19-6-2-3-8(19)10(20)17-7-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,17,20)/t8-/m0/s1
InChIKeyGUBKOJNGQUCSCL-QMMMGPOBSA-N
MW304.27 g/mol
LogP1.13
Rot. Bonds4

About (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 32878064) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID32878064
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccnc(N2CCC[C@H]2C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O2/c1-21-9-4-5-16-11(18-9)19-6-2-3-8(19)10(20)17-7-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,17,20)/t8-/m0/s1
InChIKeyGUBKOJNGQUCSCL-QMMMGPOBSA-N
XLogP1.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 32878064) is (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is COc1ccnc(N2CCC[C@H]2C(=O)NCC(F)(F)F)n1.
What is the InChIKey of (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is GUBKOJNGQUCSCL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-21-9-4-5-16-11(18-9)19-6-2-3-8(19)10(20)17-7-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,17,20)/t8-/m0/s1.
What are the key properties of (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 32878064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).