6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C16H12F3N5O2 — CID 109338228

IUPAC6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2F)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C16H12F3N5O2/c1-7-5-11(22-16(20-7)23-12-6-8(2)26-24-12)15(25)21-10-4-3-9(17)13(18)14(10)19/h3-6H,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyBVXKWQCXAUELJQ-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.49
Rot. Bonds4

About 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109338228) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109338228
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2F)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C16H12F3N5O2/c1-7-5-11(22-16(20-7)23-12-6-8(2)26-24-12)15(25)21-10-4-3-9(17)13(18)14(10)19/h3-6H,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyBVXKWQCXAUELJQ-UHFFFAOYSA-N
XLogP3.49
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
N-(2-ethylphenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109336259
2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109336125
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606
N-tert-butyl-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109332844
2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338127
N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109338205
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109336610
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109321174
ethyl 2-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109338176
2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338064

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109338228) is 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(F)c2F)nc(Nc2cc(C)on2)n1.
What is the InChIKey of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BVXKWQCXAUELJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c1-7-5-11(22-16(20-7)23-12-6-8(2)26-24-12)15(25)21-10-4-3-9(17)13(18)14(10)19/h3-6H,1-2H3,(H,21,25)(H,20,22,23,24).
What are the key properties of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).