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

C17H17N5O4 — CID 109318092

IUPAC2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3cc(C)on3)n2)cc1OC
InChIInChI=1S/C17H17N5O4/c1-10-8-15(22-26-10)21-16(23)12-6-7-18-17(20-12)19-11-4-5-13(24-2)14(9-11)25-3/h4-9H,1-3H3,(H,18,19,20)(H,21,22,23)
InChIKeySIXCYOGOMTWCMO-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.79
Rot. Bonds6

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

2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109318092) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109318092
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3cc(C)on3)n2)cc1OC
InChIInChI=1S/C17H17N5O4/c1-10-8-15(22-26-10)21-16(23)12-6-7-18-17(20-12)19-11-4-5-13(24-2)14(9-11)25-3/h4-9H,1-3H3,(H,18,19,20)(H,21,22,23)
InChIKeySIXCYOGOMTWCMO-UHFFFAOYSA-N
XLogP2.79
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318361
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109309877
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109318464
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109318092) is 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)Nc3cc(C)on3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is SIXCYOGOMTWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-10-8-15(22-26-10)21-16(23)12-6-7-18-17(20-12)19-11-4-5-13(24-2)14(9-11)25-3/h4-9H,1-3H3,(H,18,19,20)(H,21,22,23).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).