5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one

C8H10N6O2 — CID 137429401

IUPAC5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2nnn(C)n2)[nH]c1=O
InChIInChI=1S/C8H10N6O2/c1-4-5(16-3)8(15)10-6(9-4)7-11-13-14(2)12-7/h1-3H3,(H,9,10,15)
InChIKeyFAHCEDBLLHIGDD-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.72
Rot. Bonds2

About 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one

5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 137429401) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one
PubChem CID137429401
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2nnn(C)n2)[nH]c1=O
InChIInChI=1S/C8H10N6O2/c1-4-5(16-3)8(15)10-6(9-4)7-11-13-14(2)12-7/h1-3H3,(H,9,10,15)
InChIKeyFAHCEDBLLHIGDD-UHFFFAOYSA-N
XLogP-0.72
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137429404
5-(4-methoxy-3,5-dimethylphenyl)-2-methyltetrazole
CID 14981819
5-methoxy-4-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137258015
2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one
CID 137259074
5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136980141
5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930684
methyl 2-methyltetrazole-5-carboxylate
CID 15098928
5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136930697
4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438497
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium
CID 158623427
2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 122574011

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one (CID 137429401) is 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one is COc1c(C)nc(-c2nnn(C)n2)[nH]c1=O.
What is the InChIKey of 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is FAHCEDBLLHIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-4-5(16-3)8(15)10-6(9-4)7-11-13-14(2)12-7/h1-3H3,(H,9,10,15).
What are the key properties of 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one?
5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 222.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137429401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).