4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one

C11H18N4O — CID 136726427

IUPAC4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-7-14(3)4-5-15(8)10-6-11(16)13-9(2)12-10/h6,8H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyGTDDOSCBHJMLGO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.22
Rot. Bonds1

About 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136726427) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136726427
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-7-14(3)4-5-15(8)10-6-11(16)13-9(2)12-10/h6,8H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyGTDDOSCBHJMLGO-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957807
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009570
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009573
2-[(4-Methyl-1-piperazinyl)methyl]-4(3h)-pyrimidinone
CID 67216931
2-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89739603
2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740470
2-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740808
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-methyl-5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 141941523
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136726427) is 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCN(C)CC2C)cc(=O)[nH]1.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GTDDOSCBHJMLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-14(3)4-5-15(8)10-6-11(16)13-9(2)12-10/h6,8H,4-5,7H2,1-3H3,(H,12,13,16).
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136726427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).