6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide

C9H9N5O3 — CID 91628565

IUPAC6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nonc2C)ncn1
InChIInChI=1S/C9H9N5O3/c1-5-8(14-17-13-5)12-9(15)6-3-7(16-2)11-4-10-6/h3-4H,1-2H3,(H,12,14,15)
InChIKeyYQPLWFKAMSFHBW-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.43
Rot. Bonds3

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

6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 91628565) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide
PubChem CID91628565
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nonc2C)ncn1
InChIInChI=1S/C9H9N5O3/c1-5-8(14-17-13-5)12-9(15)6-3-7(16-2)11-4-10-6/h3-4H,1-2H3,(H,12,14,15)
InChIKeyYQPLWFKAMSFHBW-UHFFFAOYSA-N
XLogP0.43
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(isoxazol-3-yl)-6-methoxypyrimidine-4-carboxamide
CID 91628542
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 171359869
6-Methoxypyrimidine-4-carboxamide
CID 89155963
N-hydroxy-6-methoxypyrimidine-4-carboxamide
CID 89156710
N,6-Dimethoxy-N-methyl-4-pyrimidinecarboxamide
CID 155009312
5-(6-Methoxypyrimidin-4-yl)-1,2,4-oxadiazole
CID 169574352
3-(6-Methoxypyrimidin-4-yl)-5-methyl-1,2,4-oxadiazole
CID 169574396
5-(6-Methoxypyrimidin-4-yl)-3-methyl-1,2,4-oxadiazole
CID 169574426
(2,2-Dimethylpiperazin-1-yl)-(6-methoxy-1-oxidopyrimidin-1-ium-4-yl)methanone
CID 176099336
N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide
CID 178010075
6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide
CID 178010571

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide (CID 91628565) is 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2nonc2C)ncn1.
What is the InChIKey of 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is YQPLWFKAMSFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-5-8(14-17-13-5)12-9(15)6-3-7(16-2)11-4-10-6/h3-4H,1-2H3,(H,12,14,15).
What are the key properties of 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide?
6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 235.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).