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

C14H24N4O2 — CID 63554294

IUPAC4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(CC)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-3-5-10-13(19)16-12(17-14(10)20)11(4-2)18-8-6-15-7-9-18/h11,15H,3-9H2,1-2H3,(H2,16,17,19,20)
InChIKeyCBRMAPVJZCGONI-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.78
Rot. Bonds5

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

4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63554294) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63554294
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(CC)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-3-5-10-13(19)16-12(17-14(10)20)11(4-2)18-8-6-15-7-9-18/h11,15H,3-9H2,1-2H3,(H2,16,17,19,20)
InChIKeyCBRMAPVJZCGONI-UHFFFAOYSA-N
XLogP0.78
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-hydroxy-6-(2-methylpropyl)-3-prop-2-enyl-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 137286776
5-fluoro-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 80550922
4-hydroxy-2-methyl-5-piperidin-4-yl-1H-pyrimidin-6-one
CID 90956795
5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 55221351
4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidin-6-one
CID 55221461
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221567
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 55253950
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553557
5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553562
4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one
CID 63553563
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63553572

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one (CID 63554294) is 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(CC)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is CBRMAPVJZCGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-10-13(19)16-12(17-14(10)20)11(4-2)18-8-6-15-7-9-18/h11,15H,3-9H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.78, 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-ylpropyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).