3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one

C10H16N4O — CID 83883911

IUPAC3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
SMILESCn1cncc(CN2CCNCC2)c1=O
InChIInChI=1S/C10H16N4O/c1-13-8-12-6-9(10(13)15)7-14-4-2-11-3-5-14/h6,8,11H,2-5,7H2,1H3
InChIKeyJYAWCNVFASSAQS-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.81
Rot. Bonds2

About 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one

3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one (PubChem CID 83883911) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
PubChem CID83883911
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
SMILESCn1cncc(CN2CCNCC2)c1=O
InChIInChI=1S/C10H16N4O/c1-13-8-12-6-9(10(13)15)7-14-4-2-11-3-5-14/h6,8,11H,2-5,7H2,1H3
InChIKeyJYAWCNVFASSAQS-UHFFFAOYSA-N
XLogP-0.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
2-amino-5-methyl-3-[(4-methyl-1-propan-2-ylpiperazin-2-yl)methyl]-1H-pyrimidin-3-ium-6-one
CID 169986060
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 177783270
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one;hydrochloride
CID 177783535
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-[(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
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one (CID 83883911) is 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one is Cn1cncc(CN2CCNCC2)c1=O.
What is the InChIKey of 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
The InChIKey is JYAWCNVFASSAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-8-12-6-9(10(13)15)7-14-4-2-11-3-5-14/h6,8,11H,2-5,7H2,1H3.
What are the key properties of 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 83883911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).