1-decyl-2H-pyrimidine

C14H26N2 — CID 139947931

IUPAC1-decyl-2H-pyrimidine
SMILESCCCCCCCCCCN1C=CC=NC1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15-14-16/h10-11,13H,2-9,12,14H2,1H3
InChIKeyJKEURUHBSXLEFQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.98
Rot. Bonds9

About 1-decyl-2H-pyrimidine

1-decyl-2H-pyrimidine (PubChem CID 139947931) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-decyl-2H-pyrimidine.

Molecular Properties

Compound Name1-decyl-2H-pyrimidine
PubChem CID139947931
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-decyl-2H-pyrimidine
SMILESCCCCCCCCCCN1C=CC=NC1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15-14-16/h10-11,13H,2-9,12,14H2,1H3
InChIKeyJKEURUHBSXLEFQ-UHFFFAOYSA-N
XLogP3.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
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 1-decyl-2H-pyrimidine?
The IUPAC name of 1-decyl-2H-pyrimidine (CID 139947931) is 1-decyl-2H-pyrimidine.
What is the SMILES notation for 1-decyl-2H-pyrimidine?
The canonical SMILES for 1-decyl-2H-pyrimidine is CCCCCCCCCCN1C=CC=NC1.
What is the InChIKey of 1-decyl-2H-pyrimidine?
The InChIKey is JKEURUHBSXLEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15-14-16/h10-11,13H,2-9,12,14H2,1H3.
What are the key properties of 1-decyl-2H-pyrimidine?
1-decyl-2H-pyrimidine has a molecular weight of 222.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2H-pyrimidine is sourced from PubChem (CID 139947931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).