ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one

C8H14N2O2 — CID 142179573

IUPACethane;formaldehyde;2-methyl-1H-pyrimidin-6-one
SMILESC=O.CC.Cc1nccc(=O)[nH]1
InChIInChI=1S/C5H6N2O.C2H6.CH2O/c1-4-6-3-2-5(8)7-4;2*1-2/h2-3H,1H3,(H,6,7,8);1-2H3;1H2
InChIKeyCSCCAZRCSGXJSC-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.92
Rot. Bonds

About ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one

ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one (PubChem CID 142179573) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;formaldehyde;2-methyl-1H-pyrimidin-6-one
PubChem CID142179573
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethane;formaldehyde;2-methyl-1H-pyrimidin-6-one
SMILESC=O.CC.Cc1nccc(=O)[nH]1
InChIInChI=1S/C5H6N2O.C2H6.CH2O/c1-4-6-3-2-5(8)7-4;2*1-2/h2-3H,1H3,(H,6,7,8);1-2H3;1H2
InChIKeyCSCCAZRCSGXJSC-UHFFFAOYSA-N
XLogP0.92
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1,4-dihydropyrimidin-4-one
CID 250451
2-Tert-butyl-3,4-dihydropyrimidin-4-one
CID 12258917
2-(Propan-2-yl)pyrimidin-4-ol
CID 12440895
2-Methylpyrimidin-4-ol hydrochloride
CID 119106306
2-Fluoromethylpyrimidin-4(3h)-one
CID 19748096
2-ethyl-3H-pyrimidin-4-one
CID 295880
2-(4-Hydroxypyrimidin-2-YL)ethanamine
CID 18768454
2-(2-fluoropropyl)-1H-pyrimidin-6-one
CID 119089180
sodium 2-ethyl-1H-pyrimidin-6-one
CID 54606838
2-Butylpyrimidin-4-ol
CID 10511035
2-(Methoxymethyl)pyrimidin-4(1H)-one
CID 14306129
N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 18768451

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one?
The IUPAC name of ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one (CID 142179573) is ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one is C=O.CC.Cc1nccc(=O)[nH]1.
What is the InChIKey of ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one?
The InChIKey is CSCCAZRCSGXJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H6.CH2O/c1-4-6-3-2-5(8)7-4;2*1-2/h2-3H,1H3,(H,6,7,8);1-2H3;1H2.
What are the key properties of ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one?
ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one has a molecular weight of 170.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 142179573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).