2-azido-5-butylpyrimidine

C8H11N5 — CID 23278869

IUPAC2-azido-5-butylpyrimidine
SMILESCCCCc1cnc(N=[N+]=[N-])nc1
InChIInChI=1S/C8H11N5/c1-2-3-4-7-5-10-8(11-6-7)12-13-9/h5-6H,2-4H2,1H3
InChIKeyMPINEIBOCSDLPH-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.76
Rot. Bonds4

About 2-azido-5-butylpyrimidine

2-azido-5-butylpyrimidine (PubChem CID 23278869) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-azido-5-butylpyrimidine.

Molecular Properties

Compound Name2-azido-5-butylpyrimidine
PubChem CID23278869
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-azido-5-butylpyrimidine
SMILESCCCCc1cnc(N=[N+]=[N-])nc1
InChIInChI=1S/C8H11N5/c1-2-3-4-7-5-10-8(11-6-7)12-13-9/h5-6H,2-4H2,1H3
InChIKeyMPINEIBOCSDLPH-UHFFFAOYSA-N
XLogP2.76
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-Azabicyclo[2.2.2]oct-2-ene, 3-(5-pyrimidinyl)-
CID 10877865
2-Chloro-5-ethylpyrimidine
CID 3572763
5-(Heptafluoropropyl)pyrimidine
CID 119085065
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
2-Chloro-5-decylpyrimidine
CID 22099083
5-Ethylpyrimidin-2-amine
CID 23131355
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-butylpyrimidine?
The IUPAC name of 2-azido-5-butylpyrimidine (CID 23278869) is 2-azido-5-butylpyrimidine.
What is the SMILES notation for 2-azido-5-butylpyrimidine?
The canonical SMILES for 2-azido-5-butylpyrimidine is CCCCc1cnc(N=[N+]=[N-])nc1.
What is the InChIKey of 2-azido-5-butylpyrimidine?
The InChIKey is MPINEIBOCSDLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-3-4-7-5-10-8(11-6-7)12-13-9/h5-6H,2-4H2,1H3.
What are the key properties of 2-azido-5-butylpyrimidine?
2-azido-5-butylpyrimidine has a molecular weight of 177.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-butylpyrimidine is sourced from PubChem (CID 23278869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).