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

C17H14F3N5O2 — CID 112850793

IUPAC2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(C)on2)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H14F3N5O2/c1-9-7-15(25-27-9)24-14-8-13(21-10(2)22-14)16(26)23-12-5-3-11(4-6-12)17(18,19)20/h3-8H,1-2H3,(H,23,26)(H,21,22,24,25)
InChIKeyRPJPAEYSUSJASR-UHFFFAOYSA-N
MW377.33 g/mol
LogP4.10
Rot. Bonds4

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

2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 112850793) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID112850793
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(C)on2)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H14F3N5O2/c1-9-7-15(25-27-9)24-14-8-13(21-10(2)22-14)16(26)23-12-5-3-11(4-6-12)17(18,19)20/h3-8H,1-2H3,(H,23,26)(H,21,22,24,25)
InChIKeyRPJPAEYSUSJASR-UHFFFAOYSA-N
XLogP4.10
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112850763
N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112851224
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849685
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 112850793) is 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1nc(Nc2cc(C)on2)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is RPJPAEYSUSJASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-9-7-15(25-27-9)24-14-8-13(21-10(2)22-14)16(26)23-12-5-3-11(4-6-12)17(18,19)20/h3-8H,1-2H3,(H,23,26)(H,21,22,24,25).
What are the key properties of 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 112850793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).