5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine

C13H16N4 — CID 173416214

IUPAC5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine
SMILESCCc1cncnc1CCCc1ncccn1
InChIInChI=1S/C13H16N4/c1-2-11-9-14-10-17-12(11)5-3-6-13-15-7-4-8-16-13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyBQPXYKNCUROKRW-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds5

About 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine

5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine (PubChem CID 173416214) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine
PubChem CID173416214
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine
SMILESCCc1cncnc1CCCc1ncccn1
InChIInChI=1S/C13H16N4/c1-2-11-9-14-10-17-12(11)5-3-6-13-15-7-4-8-16-13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyBQPXYKNCUROKRW-UHFFFAOYSA-N
XLogP2.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine?
The IUPAC name of 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine (CID 173416214) is 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine.
What is the SMILES notation for 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine?
The canonical SMILES for 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine is CCc1cncnc1CCCc1ncccn1.
What is the InChIKey of 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine?
The InChIKey is BQPXYKNCUROKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-11-9-14-10-17-12(11)5-3-6-13-15-7-4-8-16-13/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine?
5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-pyrimidin-2-ylpropyl)pyrimidine is sourced from PubChem (CID 173416214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).