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

C9H14N4O — CID 1404181

IUPAC2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)9-10-3-2-8(14)11-9/h2-3H,4-7H2,1H3,(H,10,11,14)
InChIKeyOOOIHLZHZWVJLM-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.48
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 1404181) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID1404181
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)9-10-3-2-8(14)11-9/h2-3H,4-7H2,1H3,(H,10,11,14)
InChIKeyOOOIHLZHZWVJLM-UHFFFAOYSA-N
XLogP-0.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-(4-methyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 135517723
2-(Dimethylamino)pyrimidin-4-ol
CID 817200
2-(1-Piperidinyl)-4(3H)-pyrimidinone
CID 1404202
2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
Ctk1F7610
CID 12022219
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
CID 135931796
6-Methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
CID 135505922
2-amino-6-(diethylamino)pyrimidin-4(3H)-one
CID 136776186
5-fluoro-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124908401
2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135536917
2-Amino-6-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 135933880

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 1404181) is 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is OOOIHLZHZWVJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)9-10-3-2-8(14)11-9/h2-3H,4-7H2,1H3,(H,10,11,14).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.48, 1 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 1404181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).