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

C12H15F3N4O2 — CID 32878062

IUPAC(2R)-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-/m1/s1
InChIKeyGUBKOJNGQUCSCL-MRVPVSSYSA-N
MW304.27 g/mol
LogP1.13
Rot. Bonds4

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

(2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 32878062) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID32878062
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(2R)-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-/m1/s1
InChIKeyGUBKOJNGQUCSCL-MRVPVSSYSA-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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Related Compounds

1-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 53511842
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 39830961
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
8-(4-Methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 75396073
N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]acetamide
CID 75413298
2-[(4-Methoxypyrimidin-2-yl)amino]-3-methylbutanamide
CID 75432940
(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 94447749
[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95724778
cyclopentyl-[(3S)-3-[(4-methoxypyrimidin-2-yl)amino]azepan-1-yl]methanone
CID 96571256
(2S)-1-(6-ethoxypyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
CID 97839669

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 32878062) is (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-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 (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is GUBKOJNGQUCSCL-MRVPVSSYSA-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-/m1/s1.
What are the key properties of (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2R)-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 (2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 32878062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).