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

C10H14N4O2 — CID 82509423

IUPAC2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-7-12-6-8(9(15)13-7)10(16)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,13,15)
InChIKeyPLHVUPRWJZDMGV-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.88
Rot. Bonds1

About 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 82509423) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID82509423
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-7-12-6-8(9(15)13-7)10(16)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,13,15)
InChIKeyPLHVUPRWJZDMGV-UHFFFAOYSA-N
XLogP-0.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione
CID 394413
5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione;hydrochloride
CID 394412
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 48164668
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
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
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-Bromo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66308580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 82509423) is 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is PLHVUPRWJZDMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-12-6-8(9(15)13-7)10(16)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82509423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).