3-(morpholin-2-ylmethyl)pyrimidin-4-one

C9H13N3O2 — CID 64534461

IUPAC3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CNCCO1
InChIInChI=1S/C9H13N3O2/c13-9-1-2-11-7-12(9)6-8-5-10-3-4-14-8/h1-2,7-8,10H,3-6H2
InChIKeyRTWSFQVVVUSJBE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.77
Rot. Bonds2

About 3-(morpholin-2-ylmethyl)pyrimidin-4-one

3-(morpholin-2-ylmethyl)pyrimidin-4-one (PubChem CID 64534461) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(morpholin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(morpholin-2-ylmethyl)pyrimidin-4-one
PubChem CID64534461
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CNCCO1
InChIInChI=1S/C9H13N3O2/c13-9-1-2-11-7-12(9)6-8-5-10-3-4-14-8/h1-2,7-8,10H,3-6H2
InChIKeyRTWSFQVVVUSJBE-UHFFFAOYSA-N
XLogP-0.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(morpholin-2-ylmethyl)pyrimidin-4-one (CID 64534461) is 3-(morpholin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(morpholin-2-ylmethyl)pyrimidin-4-one is O=c1ccncn1CC1CNCCO1.
What is the InChIKey of 3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is RTWSFQVVVUSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9-1-2-11-7-12(9)6-8-5-10-3-4-14-8/h1-2,7-8,10H,3-6H2.
What are the key properties of 3-(morpholin-2-ylmethyl)pyrimidin-4-one?
3-(morpholin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 64534461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).