4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one

C8H12N4O2 — CID 115020586

IUPAC4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1N1CCNCC1
InChIInChI=1S/C8H12N4O2/c13-7-6(8(14)11-5-10-7)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13,14)
InChIKeyRFZOPEDVQHVMSH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.11
Rot. Bonds1

About 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one

4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 115020586) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID115020586
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1N1CCNCC1
InChIInChI=1S/C8H12N4O2/c13-7-6(8(14)11-5-10-7)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13,14)
InChIKeyRFZOPEDVQHVMSH-UHFFFAOYSA-N
XLogP-1.11
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135489787
5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 67263076
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 158344063
4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 172750722
5-Iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66340444
4-hydroxy-2-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509651
5-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 132587822
4-hydroxy-5-(propylamino)-1H-pyrimidin-6-one
CID 132587828
4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 132587835
4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 132587856

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one (CID 115020586) is 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1N1CCNCC1.
What is the InChIKey of 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is RFZOPEDVQHVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7-6(8(14)11-5-10-7)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13,14).
What are the key properties of 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 115020586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).