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

C15H24N4O2 — CID 136696509

IUPAC2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCCC(c1nc2c(c(=O)[nH]1)COCC2)N1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-2-3-13(19-7-5-16-6-8-19)14-17-12-4-9-21-10-11(12)15(20)18-14/h13,16H,2-10H2,1H3,(H,17,18,20)
InChIKeyGIIAWNCGBUONQD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.59
Rot. Bonds4

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

2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696509) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696509
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCCC(c1nc2c(c(=O)[nH]1)COCC2)N1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-2-3-13(19-7-5-16-6-8-19)14-17-12-4-9-21-10-11(12)15(20)18-14/h13,16H,2-10H2,1H3,(H,17,18,20)
InChIKeyGIIAWNCGBUONQD-UHFFFAOYSA-N
XLogP0.59
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-piperazin-1-ylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696507
4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one
CID 63554826
2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137060794
2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696263
2-(methylsulfanylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696358
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696249
2-(butan-2-ylsulfanylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696363
[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473568
2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696365
2-[(2,2,2-trifluoroethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627274
2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696454
2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696509) is 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CCCC(c1nc2c(c(=O)[nH]1)COCC2)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is GIIAWNCGBUONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-13(19-7-5-16-6-8-19)14-17-12-4-9-21-10-11(12)15(20)18-14/h13,16H,2-10H2,1H3,(H,17,18,20).
What are the key properties of 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).