3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one

C10H14N4O2 — CID 83890531

IUPAC3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
SMILESCn1cncc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C10H14N4O2/c1-13-7-12-6-8(9(13)15)10(16)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyZPDAJDBGKVLLPW-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.17
Rot. Bonds1

About 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one

3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one (PubChem CID 83890531) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
PubChem CID83890531
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
SMILESCn1cncc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C10H14N4O2/c1-13-7-12-6-8(9(13)15)10(16)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyZPDAJDBGKVLLPW-UHFFFAOYSA-N
XLogP-1.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
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
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 177783270
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
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one (CID 83890531) is 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one is Cn1cncc(C(=O)N2CCNCC2)c1=O.
What is the InChIKey of 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one?
The InChIKey is ZPDAJDBGKVLLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-7-12-6-8(9(13)15)10(16)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3.
What are the key properties of 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one?
3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one has a molecular weight of 222.25 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one is sourced from PubChem (CID 83890531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).