5-butylpyrimidine

C8H12N2 — CID 18952838

IUPAC5-butylpyrimidine
SMILESCCCCc1cncnc1
InChIInChI=1S/C8H12N2/c1-2-3-4-8-5-9-7-10-6-8/h5-7H,2-4H2,1H3
InChIKeyKKRBHBTYAWYVDY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds3

About 5-butylpyrimidine

5-butylpyrimidine (PubChem CID 18952838) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-butylpyrimidine.

Molecular Properties

Compound Name5-butylpyrimidine
PubChem CID18952838
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-butylpyrimidine
SMILESCCCCc1cncnc1
InChIInChI=1S/C8H12N2/c1-2-3-4-8-5-9-7-10-6-8/h5-7H,2-4H2,1H3
InChIKeyKKRBHBTYAWYVDY-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butylpyrimidine?
The IUPAC name of 5-butylpyrimidine (CID 18952838) is 5-butylpyrimidine.
What is the SMILES notation for 5-butylpyrimidine?
The canonical SMILES for 5-butylpyrimidine is CCCCc1cncnc1.
What is the InChIKey of 5-butylpyrimidine?
The InChIKey is KKRBHBTYAWYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-4-8-5-9-7-10-6-8/h5-7H,2-4H2,1H3.
What are the key properties of 5-butylpyrimidine?
5-butylpyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylpyrimidine is sourced from PubChem (CID 18952838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).