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

C15H26N4O2 — CID 63554826

IUPAC4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(CCC)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-3-5-11-14(20)17-13(18-15(11)21)12(6-4-2)19-9-7-16-8-10-19/h12,16H,3-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyKTGIBGJMEJZPIO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.17
Rot. Bonds6

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

4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63554826) 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-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63554826
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(CCC)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-3-5-11-14(20)17-13(18-15(11)21)12(6-4-2)19-9-7-16-8-10-19/h12,16H,3-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyKTGIBGJMEJZPIO-UHFFFAOYSA-N
XLogP1.17
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-piperazin-1-ylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696509
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
CID 63555367
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79077775
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 79666828
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171287329
6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
CID 171275163
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171172161
1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171166800
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171287330

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one (CID 63554826) is 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(CCC)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is KTGIBGJMEJZPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-5-11-14(20)17-13(18-15(11)21)12(6-4-2)19-9-7-16-8-10-19/h12,16H,3-10H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 1.17, 6 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).