3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C13H15N5O — CID 140531166

IUPAC3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCCc1c(-c2ccncn2)nc2n(c1=O)CCCN2
InChIInChI=1S/C13H15N5O/c1-2-9-11(10-4-6-14-8-16-10)17-13-15-5-3-7-18(13)12(9)19/h4,6,8H,2-3,5,7H2,1H3,(H,15,17)
InChIKeyBBYWGDOOAJIXIG-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.08
Rot. Bonds2

About 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 140531166) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID140531166
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCCc1c(-c2ccncn2)nc2n(c1=O)CCCN2
InChIInChI=1S/C13H15N5O/c1-2-9-11(10-4-6-14-8-16-10)17-13-15-5-3-7-18(13)12(9)19/h4,6,8H,2-3,5,7H2,1H3,(H,15,17)
InChIKeyBBYWGDOOAJIXIG-UHFFFAOYSA-N
XLogP1.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 140531166) is 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is CCc1c(-c2ccncn2)nc2n(c1=O)CCCN2.
What is the InChIKey of 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is BBYWGDOOAJIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-9-11(10-4-6-14-8-16-10)17-13-15-5-3-7-18(13)12(9)19/h4,6,8H,2-3,5,7H2,1H3,(H,15,17).
What are the key properties of 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 140531166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).