4-decan-3-ylpyrimidine

C14H24N2 — CID 170150821

IUPAC4-decan-3-ylpyrimidine
SMILESCCCCCCCC(CC)c1ccncn1
InChIInChI=1S/C14H24N2/c1-3-5-6-7-8-9-13(4-2)14-10-11-15-12-16-14/h10-13H,3-9H2,1-2H3
InChIKeyJOCHPEKCBJFEGO-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.33
Rot. Bonds8

About 4-decan-3-ylpyrimidine

4-decan-3-ylpyrimidine (PubChem CID 170150821) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-decan-3-ylpyrimidine.

Molecular Properties

Compound Name4-decan-3-ylpyrimidine
PubChem CID170150821
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-decan-3-ylpyrimidine
SMILESCCCCCCCC(CC)c1ccncn1
InChIInChI=1S/C14H24N2/c1-3-5-6-7-8-9-13(4-2)14-10-11-15-12-16-14/h10-13H,3-9H2,1-2H3
InChIKeyJOCHPEKCBJFEGO-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.33
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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Related Compounds

1-pyrimidin-4-yldecan-1-amine
CID 63989976
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
1-pyrimidin-4-yldecylhydrazine
CID 105220997
2-tridecan-6-ylpyridine
CID 139295924
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-decan-4-ylpyridine
CID 67882797
4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
3-dodecan-6-yl-4-methylpyridine
CID 129130745
2-methylsulfanyl-4-tridecan-7-ylpyrimidine
CID 155462393
4-dodecan-5-yl-1-methylimidazole
CID 138655717
1-methyl-2-nonan-3-ylimidazole
CID 138628571
3-dodecan-5-yl-4-fluoropyridine
CID 130271983

Frequently Asked Questions

What is the IUPAC name of 4-decan-3-ylpyrimidine?
The IUPAC name of 4-decan-3-ylpyrimidine (CID 170150821) is 4-decan-3-ylpyrimidine.
What is the SMILES notation for 4-decan-3-ylpyrimidine?
The canonical SMILES for 4-decan-3-ylpyrimidine is CCCCCCCC(CC)c1ccncn1.
What is the InChIKey of 4-decan-3-ylpyrimidine?
The InChIKey is JOCHPEKCBJFEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-6-7-8-9-13(4-2)14-10-11-15-12-16-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-decan-3-ylpyrimidine?
4-decan-3-ylpyrimidine has a molecular weight of 220.36 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decan-3-ylpyrimidine is sourced from PubChem (CID 170150821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).