2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one

C13H13N5O2 — CID 167615716

IUPAC2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one
SMILESC=C1CCN(c2c(C)nc3ncccn3c2=O)C(=O)N1
InChIInChI=1S/C13H13N5O2/c1-8-4-7-17(13(20)15-8)10-9(2)16-12-14-5-3-6-18(12)11(10)19/h3,5-6H,1,4,7H2,2H3,(H,15,20)
InChIKeyOCRAYQMOPKXPEB-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.83
Rot. Bonds1

About 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one

2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 167615716) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one
PubChem CID167615716
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one
SMILESC=C1CCN(c2c(C)nc3ncccn3c2=O)C(=O)N1
InChIInChI=1S/C13H13N5O2/c1-8-4-7-17(13(20)15-8)10-9(2)16-12-14-5-3-6-18(12)11(10)19/h3,5-6H,1,4,7H2,2H3,(H,15,20)
InChIKeyOCRAYQMOPKXPEB-UHFFFAOYSA-N
XLogP0.83
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one (CID 167615716) is 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one is C=C1CCN(c2c(C)nc3ncccn3c2=O)C(=O)N1.
What is the InChIKey of 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is OCRAYQMOPKXPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8-4-7-17(13(20)15-8)10-9(2)16-12-14-5-3-6-18(12)11(10)19/h3,5-6H,1,4,7H2,2H3,(H,15,20).
What are the key properties of 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one?
2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 271.28 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167615716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).