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

C11H18N4O — CID 135400112

IUPAC4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2)[nH]c(=O)c1C
InChIInChI=1S/C11H18N4O/c1-8-9(2)12-11(13-10(8)16)15-6-4-14(3)5-7-15/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyTYZSPQPSXSROMF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds1

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

4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135400112) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135400112
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2)[nH]c(=O)c1C
InChIInChI=1S/C11H18N4O/c1-8-9(2)12-11(13-10(8)16)15-6-4-14(3)5-7-15/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyTYZSPQPSXSROMF-UHFFFAOYSA-N
XLogP0.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pirimicarb-desamido
CID 135420611
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135845994
2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-1,1-dimethyl-guanidine
CID 135428300
2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325826
9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
CID 145301937
6-methyl-2-(4-methylpiperazino)-5-propyl-4(3H)-pyrimidinone
CID 135491339
2-(4-ethylpiperazin-1-yl)-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135644657
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
CID 135931796
5,6-dimethyl-2-(1-piperidinyl)-4(3H)-pyrimidinone
CID 135500945
6-Methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
CID 135505922
2-amino-4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 136317067
5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197491

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135400112) is 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCN(C)CC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is TYZSPQPSXSROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(2)12-11(13-10(8)16)15-6-4-14(3)5-7-15/h4-7H2,1-3H3,(H,12,13,16).
What are the key properties of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135400112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).