5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine

C13H23N5 — CID 116976068

IUPAC5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
SMILESCCc1cnc(NCCCN2CCNCC2)nc1
InChIInChI=1S/C13H23N5/c1-2-12-10-16-13(17-11-12)15-4-3-7-18-8-5-14-6-9-18/h10-11,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyQNLQBYOVSICFHZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.75
Rot. Bonds6

About 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine

5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 116976068) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
PubChem CID116976068
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
SMILESCCc1cnc(NCCCN2CCNCC2)nc1
InChIInChI=1S/C13H23N5/c1-2-12-10-16-13(17-11-12)15-4-3-7-18-8-5-14-6-9-18/h10-11,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyQNLQBYOVSICFHZ-UHFFFAOYSA-N
XLogP0.75
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 177158499
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
4-(1-benzothiophen-2-yl)-5-chloro-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
CID 68856323
4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
CID 167977988
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
5-bromo-4-methoxy-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998060
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine
CID 23527326
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine (CID 116976068) is 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine is CCc1cnc(NCCCN2CCNCC2)nc1.
What is the InChIKey of 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is QNLQBYOVSICFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-12-10-16-13(17-11-12)15-4-3-7-18-8-5-14-6-9-18/h10-11,14H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 116976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).