6-heptyl-1,4-dihydropyrimidine

C11H20N2 — CID 166663011

IUPAC6-heptyl-1,4-dihydropyrimidine
SMILESCCCCCCCC1=CCN=CN1
InChIInChI=1S/C11H20N2/c1-2-3-4-5-6-7-11-8-9-12-10-13-11/h8,10H,2-7,9H2,1H3,(H,12,13)
InChIKeyHCDVSHROONNPJK-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.86
Rot. Bonds6

About 6-heptyl-1,4-dihydropyrimidine

6-heptyl-1,4-dihydropyrimidine (PubChem CID 166663011) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 6-heptyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-heptyl-1,4-dihydropyrimidine
PubChem CID166663011
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name6-heptyl-1,4-dihydropyrimidine
SMILESCCCCCCCC1=CCN=CN1
InChIInChI=1S/C11H20N2/c1-2-3-4-5-6-7-11-8-9-12-10-13-11/h8,10H,2-7,9H2,1H3,(H,12,13)
InChIKeyHCDVSHROONNPJK-UHFFFAOYSA-N
XLogP2.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.86
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-heptyl-1,4-dihydropyrimidine?
The IUPAC name of 6-heptyl-1,4-dihydropyrimidine (CID 166663011) is 6-heptyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-heptyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-heptyl-1,4-dihydropyrimidine is CCCCCCCC1=CCN=CN1.
What is the InChIKey of 6-heptyl-1,4-dihydropyrimidine?
The InChIKey is HCDVSHROONNPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-4-5-6-7-11-8-9-12-10-13-11/h8,10H,2-7,9H2,1H3,(H,12,13).
What are the key properties of 6-heptyl-1,4-dihydropyrimidine?
6-heptyl-1,4-dihydropyrimidine has a molecular weight of 180.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-1,4-dihydropyrimidine is sourced from PubChem (CID 166663011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).