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

C16H13F2N5O2 — CID 112851224

IUPACN-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(C)on2)cc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C16H13F2N5O2/c1-8-6-14(23-25-8)21-13-7-12(19-9(2)20-13)16(24)22-15-10(17)4-3-5-11(15)18/h3-7H,1-2H3,(H,22,24)(H,19,20,21,23)
InChIKeyNGURMIZBJDFWDZ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.36
Rot. Bonds4

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

N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 112851224) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID112851224
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(C)on2)cc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C16H13F2N5O2/c1-8-6-14(23-25-8)21-13-7-12(19-9(2)20-13)16(24)22-15-10(17)4-3-5-11(15)18/h3-7H,1-2H3,(H,22,24)(H,19,20,21,23)
InChIKeyNGURMIZBJDFWDZ-UHFFFAOYSA-N
XLogP3.36
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112879163
6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112850793
6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850806
6-(2,6-difluoroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850600
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001
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
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112850763

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 112851224) is N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1nc(Nc2cc(C)on2)cc(C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is NGURMIZBJDFWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c1-8-6-14(23-25-8)21-13-7-12(19-9(2)20-13)16(24)22-15-10(17)4-3-5-11(15)18/h3-7H,1-2H3,(H,22,24)(H,19,20,21,23).
What are the key properties of N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 112851224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).