6-pentyl-1,2-dihydropyrimidine

C9H16N2 — CID 20509831

IUPAC6-pentyl-1,2-dihydropyrimidine
SMILESCCCCCC1=CC=NCN1
InChIInChI=1S/C9H16N2/c1-2-3-4-5-9-6-7-10-8-11-9/h6-7,11H,2-5,8H2,1H3
InChIKeyKNCLZFPOSXIHEW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds4

About 6-pentyl-1,2-dihydropyrimidine

6-pentyl-1,2-dihydropyrimidine (PubChem CID 20509831) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-pentyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-pentyl-1,2-dihydropyrimidine
PubChem CID20509831
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-pentyl-1,2-dihydropyrimidine
SMILESCCCCCC1=CC=NCN1
InChIInChI=1S/C9H16N2/c1-2-3-4-5-9-6-7-10-8-11-9/h6-7,11H,2-5,8H2,1H3
InChIKeyKNCLZFPOSXIHEW-UHFFFAOYSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-1,2-dihydropyrimidine?
The IUPAC name of 6-pentyl-1,2-dihydropyrimidine (CID 20509831) is 6-pentyl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-pentyl-1,2-dihydropyrimidine?
The canonical SMILES for 6-pentyl-1,2-dihydropyrimidine is CCCCCC1=CC=NCN1.
What is the InChIKey of 6-pentyl-1,2-dihydropyrimidine?
The InChIKey is KNCLZFPOSXIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-5-9-6-7-10-8-11-9/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 6-pentyl-1,2-dihydropyrimidine?
6-pentyl-1,2-dihydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-1,2-dihydropyrimidine is sourced from PubChem (CID 20509831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).