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

C10H16N4O — CID 136726432

IUPAC4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c1-8-6-13(2)3-4-14(8)9-5-10(15)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,15)
InChIKeyPALLPXQCOXFVBQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.09
Rot. Bonds1

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

4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136726432) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136726432
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c1-8-6-13(2)3-4-14(8)9-5-10(15)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,15)
InChIKeyPALLPXQCOXFVBQ-UHFFFAOYSA-N
XLogP-0.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.09
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-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
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
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957809
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 154781909
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
2-Amino-6-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 135933880
4-methyl-N-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperazine-1-carboximidamide
CID 135645035
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
1-[4-(4-Methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone
CID 90453658

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136726432) is 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is CC1CN(C)CCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PALLPXQCOXFVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-6-13(2)3-4-14(8)9-5-10(15)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,15).
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.09, 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).