6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one

C12H19N3O2 — CID 62564461

IUPAC6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CCOC2)cn1
InChIInChI=1S/C12H19N3O2/c1-10-6-12(16)15(9-14-10)4-3-13-7-11-2-5-17-8-11/h6,9,11,13H,2-5,7-8H2,1H3
InChIKeyBAUQZSPESOTYIF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.18
Rot. Bonds5

About 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one

6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 62564461) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
PubChem CID62564461
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CCOC2)cn1
InChIInChI=1S/C12H19N3O2/c1-10-6-12(16)15(9-14-10)4-3-13-7-11-2-5-17-8-11/h6,9,11,13H,2-5,7-8H2,1H3
InChIKeyBAUQZSPESOTYIF-UHFFFAOYSA-N
XLogP0.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one (CID 62564461) is 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNCC2CCOC2)cn1.
What is the InChIKey of 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is BAUQZSPESOTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-6-12(16)15(9-14-10)4-3-13-7-11-2-5-17-8-11/h6,9,11,13H,2-5,7-8H2,1H3.
What are the key properties of 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 62564461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).