2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C13H11F3N4O2 — CID 175672865

IUPAC2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(N)=O)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N4O2/c1-22-8-4-2-7(3-5-8)19-12-18-6-9(11(17)21)10(20-12)13(14,15)16/h2-6H,1H3,(H2,17,21)(H,18,19,20)
InChIKeyQHCPDRQRVPHSLO-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 175672865) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID175672865
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(N)=O)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N4O2/c1-22-8-4-2-7(3-5-8)19-12-18-6-9(11(17)21)10(20-12)13(14,15)16/h2-6H,1H3,(H2,17,21)(H,18,19,20)
InChIKeyQHCPDRQRVPHSLO-UHFFFAOYSA-N
XLogP2.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 134914820
ethyl 2-(4-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2808715
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 174917876
2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 16719433
2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)anilino]-4-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 59145731
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 150116370
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
[4-[[5-amino-2-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl] N-tert-butylcarbamate
CID 174817692
4-[[5-bromo-4-(4-methoxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 142898924

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 175672865) is 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(N)=O)c(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is QHCPDRQRVPHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c1-22-8-4-2-7(3-5-8)19-12-18-6-9(11(17)21)10(20-12)13(14,15)16/h2-6H,1H3,(H2,17,21)(H,18,19,20).
What are the key properties of 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 175672865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).