2-dec-1-ynylpyrimidine

C14H20N2 — CID 71528041

IUPAC2-dec-1-ynylpyrimidine
SMILESCCCCCCCCC#Cc1ncccn1
InChIInChI=1S/C14H20N2/c1-2-3-4-5-6-7-8-9-11-14-15-12-10-13-16-14/h10,12-13H,2-8H2,1H3
InChIKeyATHYHVCAQYJKSB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.58
Rot. Bonds6

About 2-dec-1-ynylpyrimidine

2-dec-1-ynylpyrimidine (PubChem CID 71528041) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-dec-1-ynylpyrimidine.

Molecular Properties

Compound Name2-dec-1-ynylpyrimidine
PubChem CID71528041
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-dec-1-ynylpyrimidine
SMILESCCCCCCCCC#Cc1ncccn1
InChIInChI=1S/C14H20N2/c1-2-3-4-5-6-7-8-9-11-14-15-12-10-13-16-14/h10,12-13H,2-8H2,1H3
InChIKeyATHYHVCAQYJKSB-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oct-1-ynylpyridine
CID 12931148
1,2-bis(oct-1-ynyl)benzene
CID 11087701
tridec-1-ynylbenzene
CID 19991064
dec-1-ynylstibane
CID 173085058
ethane;non-1-ynylbenzene
CID 143616673
henicos-8-yne
CID 22224321
1-chloro-4-dodec-1-ynylbenzene
CID 146003040
ethyl 3-oct-1-ynylpyridine-2-carboxylate
CID 118976104
2-oct-1-ynyl-4-propan-2-ylpyridine
CID 102340215
2-oct-1-ynyl-7H-purin-6-amine
CID 15119230
dec-1-ynyl(trimethyl)germane
CID 86036630
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723

Frequently Asked Questions

What is the IUPAC name of 2-dec-1-ynylpyrimidine?
The IUPAC name of 2-dec-1-ynylpyrimidine (CID 71528041) is 2-dec-1-ynylpyrimidine.
What is the SMILES notation for 2-dec-1-ynylpyrimidine?
The canonical SMILES for 2-dec-1-ynylpyrimidine is CCCCCCCCC#Cc1ncccn1.
What is the InChIKey of 2-dec-1-ynylpyrimidine?
The InChIKey is ATHYHVCAQYJKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-3-4-5-6-7-8-9-11-14-15-12-10-13-16-14/h10,12-13H,2-8H2,1H3.
What are the key properties of 2-dec-1-ynylpyrimidine?
2-dec-1-ynylpyrimidine has a molecular weight of 216.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-ynylpyrimidine is sourced from PubChem (CID 71528041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).