6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one

C10H14N4O2 — CID 82509419

IUPAC6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(C(=O)N2CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-7-6-8(13-10(16)12-7)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,13,16)
InChIKeyCAJRJEXTUCEQGH-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.88
Rot. Bonds1

About 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one

6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 82509419) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID82509419
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(C(=O)N2CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-7-6-8(13-10(16)12-7)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,13,16)
InChIKeyCAJRJEXTUCEQGH-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

6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
CID 124948429
6-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 155983475
4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 110109029
6-methyl-4-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyrimidin-2-one
CID 125015333
6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one
CID 91779787
6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
CID 82473059
4-[(4R)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepane-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 124953482
6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one
CID 129473867
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one (CID 82509419) is 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one is Cc1cc(C(=O)N2CCNCC2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is CAJRJEXTUCEQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-6-8(13-10(16)12-7)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one?
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-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 6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82509419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).