4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine

C15H28N6 — CID 80805920

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C15H28N6/c1-4-6-16-15-17-7-5-14(18-15)21-12-10-20(11-13-21)9-8-19(2)3/h5,7H,4,6,8-13H2,1-3H3,(H,16,17,18)
InChIKeyQZSQKYMQMQROEH-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.98
Rot. Bonds7

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine (PubChem CID 80805920) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
PubChem CID80805920
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C15H28N6/c1-4-6-16-15-17-7-5-14(18-15)21-12-10-20(11-13-21)9-8-19(2)3/h5,7H,4,6,8-13H2,1-3H3,(H,16,17,18)
InChIKeyQZSQKYMQMQROEH-UHFFFAOYSA-N
XLogP0.98
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66903028
N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 112881940
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887167
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine (CID 80805920) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine is CCCNc1nccc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine?
The InChIKey is QZSQKYMQMQROEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-4-6-16-15-17-7-5-14(18-15)21-12-10-20(11-13-21)9-8-19(2)3/h5,7H,4,6,8-13H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80805920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).