2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one

C9H16N4O — CID 13398177

IUPAC2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN1CCN(C2=NCCC(=O)N2)CC1
InChIInChI=1S/C9H16N4O/c1-12-4-6-13(7-5-12)9-10-3-2-8(14)11-9/h2-7H2,1H3,(H,10,11,14)
InChIKeyQURGXXYJMJYFCE-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.89
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one

2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 13398177) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID13398177
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN1CCN(C2=NCCC(=O)N2)CC1
InChIInChI=1S/C9H16N4O/c1-12-4-6-13(7-5-12)9-10-3-2-8(14)11-9/h2-7H2,1H3,(H,10,11,14)
InChIKeyQURGXXYJMJYFCE-UHFFFAOYSA-N
XLogP-0.89
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-6-methyl-
CID 152764
5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
3-[4-[N-(2,2-difluoroethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 120066101
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 20715743
2-(4-Ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
CID 118617349
3-[[formamido-(4-methylpiperazin-1-yl)methylidene]amino]-N-methylpropanamide
CID 118617365
N'-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358403
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358560
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358645
N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
CID 122608808

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one (CID 13398177) is 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one is CN1CCN(C2=NCCC(=O)N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is QURGXXYJMJYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-4-6-13(7-5-12)9-10-3-2-8(14)11-9/h2-7H2,1H3,(H,10,11,14).
What are the key properties of 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one?
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 13398177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).