6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C19H21N5O2 — CID 109336610

IUPAC6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)Nc3cc(C)on3)n2)c(C)c1
InChIInChI=1S/C19H21N5O2/c1-10-6-11(2)17(12(3)7-10)23-19-20-13(4)8-15(21-19)18(25)22-16-9-14(5)26-24-16/h6-9H,1-5H3,(H,20,21,23)(H,22,24,25)
InChIKeyRXQNUFHXBKXVDA-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.00
Rot. Bonds4

About 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109336610) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109336610
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)Nc3cc(C)on3)n2)c(C)c1
InChIInChI=1S/C19H21N5O2/c1-10-6-11(2)17(12(3)7-10)23-19-20-13(4)8-15(21-19)18(25)22-16-9-14(5)26-24-16/h6-9H,1-5H3,(H,20,21,23)(H,22,24,25)
InChIKeyRXQNUFHXBKXVDA-UHFFFAOYSA-N
XLogP4.00
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849685
2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338064
2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338127
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327667
N-tert-butyl-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109332844
2-(2,6-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336629
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109336610) is 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2nc(C)cc(C(=O)Nc3cc(C)on3)n2)c(C)c1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is RXQNUFHXBKXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-10-6-11(2)17(12(3)7-10)23-19-20-13(4)8-15(21-19)18(25)22-16-9-14(5)26-24-16/h6-9H,1-5H3,(H,20,21,23)(H,22,24,25).
What are the key properties of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).