3-decyl-4H-pyrimidine

C14H26N2 — CID 57075425

IUPAC3-decyl-4H-pyrimidine
SMILESCCCCCCCCCCN1C=NC=CC1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15-14-16/h10-11,14H,2-9,12-13H2,1H3
InChIKeyCBPIVKXPDNOYEP-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.98
Rot. Bonds9

About 3-decyl-4H-pyrimidine

3-decyl-4H-pyrimidine (PubChem CID 57075425) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-decyl-4H-pyrimidine.

Molecular Properties

Compound Name3-decyl-4H-pyrimidine
PubChem CID57075425
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-decyl-4H-pyrimidine
SMILESCCCCCCCCCCN1C=NC=CC1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15-14-16/h10-11,14H,2-9,12-13H2,1H3
InChIKeyCBPIVKXPDNOYEP-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 3-decyl-4H-pyrimidine?
The IUPAC name of 3-decyl-4H-pyrimidine (CID 57075425) is 3-decyl-4H-pyrimidine.
What is the SMILES notation for 3-decyl-4H-pyrimidine?
The canonical SMILES for 3-decyl-4H-pyrimidine is CCCCCCCCCCN1C=NC=CC1.
What is the InChIKey of 3-decyl-4H-pyrimidine?
The InChIKey is CBPIVKXPDNOYEP-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/h10-11,14H,2-9,12-13H2,1H3.
What are the key properties of 3-decyl-4H-pyrimidine?
3-decyl-4H-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 3-decyl-4H-pyrimidine is sourced from PubChem (CID 57075425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).