1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone

C14H24N6O — CID 66903028

IUPAC1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(NCCN(C)C)n2)CC1
InChIInChI=1S/C14H24N6O/c1-12(21)19-8-10-20(11-9-19)13-4-5-15-14(17-13)16-6-7-18(2)3/h4-5H,6-11H2,1-3H3,(H,15,16,17)
InChIKeyWMKJBRNHHWOFMN-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.12
Rot. Bonds5

About 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 66903028) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID66903028
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(NCCN(C)C)n2)CC1
InChIInChI=1S/C14H24N6O/c1-12(21)19-8-10-20(11-9-19)13-4-5-15-14(17-13)16-6-7-18(2)3/h4-5H,6-11H2,1-3H3,(H,15,16,17)
InChIKeyWMKJBRNHHWOFMN-UHFFFAOYSA-N
XLogP0.12
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80928222
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887167
N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
1-[4-[3-[3-(dimethylamino)propylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945597
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 66903028) is 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(NCCN(C)C)n2)CC1.
What is the InChIKey of 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is WMKJBRNHHWOFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-12(21)19-8-10-20(11-9-19)13-4-5-15-14(17-13)16-6-7-18(2)3/h4-5H,6-11H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 292.39 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 66903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).