2-chloro-5-decylpyrimidine

C14H23ClN2 — CID 22099083

IUPAC2-chloro-5-decylpyrimidine
SMILESCCCCCCCCCCc1cnc(Cl)nc1
InChIInChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3
InChIKeyLJRSECCCAXFYFU-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.81
Rot. Bonds9

About 2-chloro-5-decylpyrimidine

2-chloro-5-decylpyrimidine (PubChem CID 22099083) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-chloro-5-decylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-decylpyrimidine
PubChem CID22099083
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-chloro-5-decylpyrimidine
SMILESCCCCCCCCCCc1cnc(Cl)nc1
InChIInChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3
InChIKeyLJRSECCCAXFYFU-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.81
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 2-chloro-5-decylpyrimidine?
The IUPAC name of 2-chloro-5-decylpyrimidine (CID 22099083) is 2-chloro-5-decylpyrimidine.
What is the SMILES notation for 2-chloro-5-decylpyrimidine?
The canonical SMILES for 2-chloro-5-decylpyrimidine is CCCCCCCCCCc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-decylpyrimidine?
The InChIKey is LJRSECCCAXFYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3.
What are the key properties of 2-chloro-5-decylpyrimidine?
2-chloro-5-decylpyrimidine has a molecular weight of 254.80 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-decylpyrimidine is sourced from PubChem (CID 22099083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).