6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

C10H14N2O2 — CID 126857529

IUPAC6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCCO2)cn1
InChIInChI=1S/C10H14N2O2/c1-8-5-10(13)12(7-11-8)6-9-3-2-4-14-9/h5,7,9H,2-4,6H2,1H3
InChIKeyPGAOQWAHARMRNR-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.73
Rot. Bonds2

About 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857529) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID126857529
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCCO2)cn1
InChIInChI=1S/C10H14N2O2/c1-8-5-10(13)12(7-11-8)6-9-3-2-4-14-9/h5,7,9H,2-4,6H2,1H3
InChIKeyPGAOQWAHARMRNR-UHFFFAOYSA-N
XLogP0.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941867
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
5-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrazol-3-one
CID 121214210
3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one
CID 79572644
7,8-dimethoxy-3-[[(2S)-oxolan-2-yl]methyl]-5H-pyrimido[5,4-b]indol-4-one
CID 906916
1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione
CID 18775675
3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942014
5,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95095149
5-[[(2R)-oxolan-2-yl]methyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione
CID 34925223
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 126857529) is 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is Cc1cc(=O)n(CC2CCCO2)cn1.
What is the InChIKey of 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is PGAOQWAHARMRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-5-10(13)12(7-11-8)6-9-3-2-4-14-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).