6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C8H8F3N3O2 — CID 91628546

IUPAC6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC(F)(F)F)ncn1
InChIInChI=1S/C8H8F3N3O2/c1-16-6-2-5(13-4-14-6)7(15)12-3-8(9,10)11/h2,4H,3H2,1H3,(H,12,15)
InChIKeySYNYVCBLZQLCED-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.78
Rot. Bonds3

About 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 91628546) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID91628546
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC(F)(F)F)ncn1
InChIInChI=1S/C8H8F3N3O2/c1-16-6-2-5(13-4-14-6)7(15)12-3-8(9,10)11/h2,4H,3H2,1H3,(H,12,15)
InChIKeySYNYVCBLZQLCED-UHFFFAOYSA-N
XLogP0.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-methoxy-N-(2-(3-methyl-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
CID 91628569
6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 91628503
(4,4-Dimethyloxazolidin-3-yl)(6-methoxypyrimidin-4-yl)methanone
CID 91628566
(2,6-Dimethoxypyrimidin-4-yl)-morpholin-4-ylmethanone
CID 3286661
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
CID 95229551
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565230
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 164636605
(6-Methoxy-2-piperazin-1-ylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 177658229

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 91628546) is 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is COc1cc(C(=O)NCC(F)(F)F)ncn1.
What is the InChIKey of 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is SYNYVCBLZQLCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-16-6-2-5(13-4-14-6)7(15)12-3-8(9,10)11/h2,4H,3H2,1H3,(H,12,15).
What are the key properties of 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).