4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine

C13H21N5 — CID 112882670

IUPAC4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(N2CCN(CC)CC2)n1
InChIInChI=1S/C13H21N5/c1-3-6-14-13-15-7-5-12(16-13)18-10-8-17(4-2)9-11-18/h3,5,7H,1,4,6,8-11H2,2H3,(H,14,15,16)
InChIKeyVGFPEAYAMPLMQK-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.22
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine

4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112882670) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
PubChem CID112882670
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(N2CCN(CC)CC2)n1
InChIInChI=1S/C13H21N5/c1-3-6-14-13-15-7-5-12(16-13)18-10-8-17(4-2)9-11-18/h3,5,7H,1,4,6,8-11H2,2H3,(H,14,15,16)
InChIKeyVGFPEAYAMPLMQK-UHFFFAOYSA-N
XLogP1.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112885536
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine (CID 112882670) is 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nccc(N2CCN(CC)CC2)n1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is VGFPEAYAMPLMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-6-14-13-15-7-5-12(16-13)18-10-8-17(4-2)9-11-18/h3,5,7H,1,4,6,8-11H2,2H3,(H,14,15,16).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112882670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).