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

C8H14N2O2 — CID 161322465

IUPACethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCC.COc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C6H8N2O2.C2H6/c1-4-7-5(9)3-6(8-4)10-2;1-2/h3H,1-2H3,(H,7,8,9);1-2H3
InChIKeyVKIBWFGNWCNOAU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.11
Rot. Bonds1

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

ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 161322465) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
PubChem CID161322465
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCC.COc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C6H8N2O2.C2H6/c1-4-7-5(9)3-6(8-4)10-2;1-2/h3H,1-2H3,(H,7,8,9);1-2H3
InChIKeyVKIBWFGNWCNOAU-UHFFFAOYSA-N
XLogP1.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-amino-6-hydroxypyrimidine
CID 135431330
4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
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
4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
CID 139637763
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
N-(2-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)acetamide
CID 135515053
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
6-Amino-2-ethylpyrimidin-4(1H)-one
CID 135900864

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one (CID 161322465) is ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one is CC.COc1cc(=O)[nH]c(C)n1.
What is the InChIKey of ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VKIBWFGNWCNOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C2H6/c1-4-7-5(9)3-6(8-4)10-2;1-2/h3H,1-2H3,(H,7,8,9);1-2H3.
What are the key properties of ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one?
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 170.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 161322465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).