2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C13H20N4O2 — CID 136696507

IUPAC2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(c1nc2c(c(=O)[nH]1)COCC2)N1CCNCC1
InChIInChI=1S/C13H20N4O2/c1-9(17-5-3-14-4-6-17)12-15-11-2-7-19-8-10(11)13(18)16-12/h9,14H,2-8H2,1H3,(H,15,16,18)
InChIKeyBQRVPXOTCHKJRE-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.19
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696507) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696507
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(c1nc2c(c(=O)[nH]1)COCC2)N1CCNCC1
InChIInChI=1S/C13H20N4O2/c1-9(17-5-3-14-4-6-17)12-15-11-2-7-19-8-10(11)13(18)16-12/h9,14H,2-8H2,1H3,(H,15,16,18)
InChIKeyBQRVPXOTCHKJRE-UHFFFAOYSA-N
XLogP-0.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696507) is 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC(c1nc2c(c(=O)[nH]1)COCC2)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is BQRVPXOTCHKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(17-5-3-14-4-6-17)12-15-11-2-7-19-8-10(11)13(18)16-12/h9,14H,2-8H2,1H3,(H,15,16,18).
What are the key properties of 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).