4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one

C15H26N4O2 — CID 63555013

IUPAC4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(c1nc(O)c(C(C)C)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-4-5-11(19-8-6-16-7-9-19)13-17-14(20)12(10(2)3)15(21)18-13/h10-11,16H,4-9H2,1-3H3,(H2,17,18,20,21)
InChIKeyMXEBLKWLPOITAW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.35
Rot. Bonds5

About 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63555013) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63555013
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(c1nc(O)c(C(C)C)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-4-5-11(19-8-6-16-7-9-19)13-17-14(20)12(10(2)3)15(21)18-13/h10-11,16H,4-9H2,1-3H3,(H2,17,18,20,21)
InChIKeyMXEBLKWLPOITAW-UHFFFAOYSA-N
XLogP1.35
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63555013) is 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one is CCCC(c1nc(O)c(C(C)C)c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MXEBLKWLPOITAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-5-11(19-8-6-16-7-9-19)13-17-14(20)12(10(2)3)15(21)18-13/h10-11,16H,4-9H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).