5-ethyl-2-pentan-3-ylpyrimidine

C11H18N2 — CID 130320548

IUPAC5-ethyl-2-pentan-3-ylpyrimidine
SMILESCCc1cnc(C(CC)CC)nc1
InChIInChI=1S/C11H18N2/c1-4-9-7-12-11(13-8-9)10(5-2)6-3/h7-8,10H,4-6H2,1-3H3
InChIKeyCBEJXXSUBINTSO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds4

About 5-ethyl-2-pentan-3-ylpyrimidine

5-ethyl-2-pentan-3-ylpyrimidine (PubChem CID 130320548) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-ethyl-2-pentan-3-ylpyrimidine.

Molecular Properties

Compound Name5-ethyl-2-pentan-3-ylpyrimidine
PubChem CID130320548
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-ethyl-2-pentan-3-ylpyrimidine
SMILESCCc1cnc(C(CC)CC)nc1
InChIInChI=1S/C11H18N2/c1-4-9-7-12-11(13-8-9)10(5-2)6-3/h7-8,10H,4-6H2,1-3H3
InChIKeyCBEJXXSUBINTSO-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-propan-2-ylpyrimidine
CID 58333368
5-methyl-2-pentan-3-ylpyrimidine
CID 91611404
2,5-diethylpyrimidine;hydroiodide
CID 143798194
2-chloro-5-ethylpyrimidine
CID 3572763
2-(bromomethyl)-5-ethylpyrimidine
CID 169043827
5-ethyl-2-methoxypyrimidine
CID 20754775
2-(2,2-dimethylpropyl)-5-ethylpyrimidine
CID 146228147
5-ethyl-2-[(E)-prop-1-enyl]pyrimidine
CID 145069367
2-(5-ethylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105442920
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
2-bromo-5-ethylpyridin-3-amine
CID 122694782
1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
CID 116977344

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-pentan-3-ylpyrimidine?
The IUPAC name of 5-ethyl-2-pentan-3-ylpyrimidine (CID 130320548) is 5-ethyl-2-pentan-3-ylpyrimidine.
What is the SMILES notation for 5-ethyl-2-pentan-3-ylpyrimidine?
The canonical SMILES for 5-ethyl-2-pentan-3-ylpyrimidine is CCc1cnc(C(CC)CC)nc1.
What is the InChIKey of 5-ethyl-2-pentan-3-ylpyrimidine?
The InChIKey is CBEJXXSUBINTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-7-12-11(13-8-9)10(5-2)6-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2-pentan-3-ylpyrimidine?
5-ethyl-2-pentan-3-ylpyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-pentan-3-ylpyrimidine is sourced from PubChem (CID 130320548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).