5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

C9H12N4O2 — CID 82507534

IUPAC5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-8-7(5-11-6-12-8)9(15)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H,11,12,14)
InChIKeyPFPQMAXZYGEJHS-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.18
Rot. Bonds1

About 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 82507534) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID82507534
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-8-7(5-11-6-12-8)9(15)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H,11,12,14)
InChIKeyPFPQMAXZYGEJHS-UHFFFAOYSA-N
XLogP-1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
2-amino-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 251395
3-(3-Oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 55237815
5-Iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66309077
5-Bromo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66310179
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516

Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 82507534) is 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCNCC1.
What is the InChIKey of 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is PFPQMAXZYGEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-7(5-11-6-12-8)9(15)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H,11,12,14).
What are the key properties of 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82507534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).