4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 135978387

IUPAC4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(CC2CCCO2)n1
InChIInChI=1S/C11H17N3O2/c1-12-7-8-5-11(15)14-10(13-8)6-9-3-2-4-16-9/h5,9,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyVEAYUHUUMOSTNI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.21
Rot. Bonds4

About 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135978387) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135978387
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(CC2CCCO2)n1
InChIInChI=1S/C11H17N3O2/c1-12-7-8-5-11(15)14-10(13-8)6-9-3-2-4-16-9/h5,9,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyVEAYUHUUMOSTNI-UHFFFAOYSA-N
XLogP0.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 135978387) is 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(CC2CCCO2)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is VEAYUHUUMOSTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-7-8-5-11(15)14-10(13-8)6-9-3-2-4-16-9/h5,9,12H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).