2,5-diethylpyrimidine;hydroiodide

C8H13IN2 — CID 143798194

IUPAC2,5-diethylpyrimidine;hydroiodide
SMILESCCc1cnc(CC)nc1.I
InChIInChI=1S/C8H12N2.HI/c1-3-7-5-9-8(4-2)10-6-7;/h5-6H,3-4H2,1-2H3;1H
InChIKeyBPKIHKQMTMPZFP-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.22
Rot. Bonds2

About 2,5-diethylpyrimidine;hydroiodide

2,5-diethylpyrimidine;hydroiodide (PubChem CID 143798194) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2,5-diethylpyrimidine;hydroiodide.

Molecular Properties

Compound Name2,5-diethylpyrimidine;hydroiodide
PubChem CID143798194
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name2,5-diethylpyrimidine;hydroiodide
SMILESCCc1cnc(CC)nc1.I
InChIInChI=1S/C8H12N2.HI/c1-3-7-5-9-8(4-2)10-6-7;/h5-6H,3-4H2,1-2H3;1H
InChIKeyBPKIHKQMTMPZFP-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-ethylpyrimidine
CID 169043827
2-(2,2-dimethylpropyl)-5-ethylpyrimidine
CID 146228147
2-(5-ethylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105442920
2-chloro-5-ethylpyrimidine
CID 3572763
5-ethyl-2-methoxypyrimidine
CID 20754775
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
5-ethyl-2-propan-2-ylpyrimidine
CID 58333368
5-ethyl-2-pentan-3-ylpyrimidine
CID 130320548
ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol
CID 176687937
5-ethyl-2-[(E)-prop-1-enyl]pyrimidine
CID 145069367
2-(azetidin-3-yl)-5-ethylpyrimidine
CID 84651719
2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
CID 116975578

Frequently Asked Questions

What is the IUPAC name of 2,5-diethylpyrimidine;hydroiodide?
The IUPAC name of 2,5-diethylpyrimidine;hydroiodide (CID 143798194) is 2,5-diethylpyrimidine;hydroiodide.
What is the SMILES notation for 2,5-diethylpyrimidine;hydroiodide?
The canonical SMILES for 2,5-diethylpyrimidine;hydroiodide is CCc1cnc(CC)nc1.I.
What is the InChIKey of 2,5-diethylpyrimidine;hydroiodide?
The InChIKey is BPKIHKQMTMPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.HI/c1-3-7-5-9-8(4-2)10-6-7;/h5-6H,3-4H2,1-2H3;1H.
What are the key properties of 2,5-diethylpyrimidine;hydroiodide?
2,5-diethylpyrimidine;hydroiodide has a molecular weight of 264.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylpyrimidine;hydroiodide is sourced from PubChem (CID 143798194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).