4-methoxy-2-methyl-1H-pyrimidin-6-one

C6H8N2O2 — CID 20674308

IUPAC4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C6H8N2O2/c1-4-7-5(9)3-6(8-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKeyCHASCQSJHSQWNQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.09
Rot. Bonds1

About 4-methoxy-2-methyl-1H-pyrimidin-6-one

4-methoxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 20674308) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-1H-pyrimidin-6-one
PubChem CID20674308
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C6H8N2O2/c1-4-7-5(9)3-6(8-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKeyCHASCQSJHSQWNQ-UHFFFAOYSA-N
XLogP0.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-Methyl-4-amino-6-hydroxypyrimidine
CID 135431330
Etrimfos alcohol metabolite
CID 12940703
2-Propylpyrimidine-4,6-diol
CID 12280642
5-Amino-6-methoxy-2-methylpyrimidin-4(3H)-one
CID 2337572
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
4-methoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 69908735
2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241790
2-fluoro-4-methoxy-1H-pyrimidin-6-one
CID 129239113
4(3H)-Pyrimidinone, 6-fluoro-2-methyl-(8CI)
CID 135618098
4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
CID 139637763
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-methyl-1H-pyrimidin-6-one (CID 20674308) is 4-methoxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-methyl-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-methoxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CHASCQSJHSQWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-7-5(9)3-6(8-4)10-2/h3H,1-2H3,(H,7,8,9).
What are the key properties of 4-methoxy-2-methyl-1H-pyrimidin-6-one?
4-methoxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 20674308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).