4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C11H16N2O2 — CID 136730171

IUPAC4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C11H16N2O2/c1-8-6-11(14)13-10(12-8)7-9-4-2-3-5-15-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeySUDIDFCWJCPWFU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.19
Rot. Bonds2

About 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730171) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730171
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C11H16N2O2/c1-8-6-11(14)13-10(12-8)7-9-4-2-3-5-15-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeySUDIDFCWJCPWFU-UHFFFAOYSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249125
4-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978361
4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978387
4-(methoxymethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136035636
4-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095445
2-(oxolan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095714
4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136157305
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730163
2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one
CID 136730173

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730171) is 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SUDIDFCWJCPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-6-11(14)13-10(12-8)7-9-4-2-3-5-15-9/h6,9H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).