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

C18H19N5O4 — CID 112850763

IUPACN-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cc(C)on3)nc(C)n2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-10-7-17(23-27-10)22-16-9-13(19-11(2)20-16)18(24)21-12-5-6-14(25-3)15(8-12)26-4/h5-9H,1-4H3,(H,21,24)(H,19,20,22,23)
InChIKeyFSRXPEXXIUBUNT-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.09
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 112850763) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID112850763
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cc(C)on3)nc(C)n2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-10-7-17(23-27-10)22-16-9-13(19-11(2)20-16)18(24)21-12-5-6-14(25-3)15(8-12)26-4/h5-9H,1-4H3,(H,21,24)(H,19,20,22,23)
InChIKeyFSRXPEXXIUBUNT-UHFFFAOYSA-N
XLogP3.09
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848932
6-(2-methoxy-5-methylanilino)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112850686
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112850793
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318092
N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112851224
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
N-(3-chloro-4-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199598
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
N-(3-chloro-4-methoxyphenyl)-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849160
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 112850763) is N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3cc(C)on3)nc(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is FSRXPEXXIUBUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-10-7-17(23-27-10)22-16-9-13(19-11(2)20-16)18(24)21-12-5-6-14(25-3)15(8-12)26-4/h5-9H,1-4H3,(H,21,24)(H,19,20,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 112850763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).