5-bromo-4-ethyl-2-methylpyrimidine;ethane

C9H15BrN2 — CID 162730245

IUPAC5-bromo-4-ethyl-2-methylpyrimidine;ethane
SMILESCC.CCc1nc(C)ncc1Br
InChIInChI=1S/C7H9BrN2.C2H6/c1-3-7-6(8)4-9-5(2)10-7;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyKJYDPNDIHTZQJP-UHFFFAOYSA-N
MW231.14 g/mol
LogP3.14
Rot. Bonds1

About 5-bromo-4-ethyl-2-methylpyrimidine;ethane

5-bromo-4-ethyl-2-methylpyrimidine;ethane (PubChem CID 162730245) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 5-bromo-4-ethyl-2-methylpyrimidine;ethane.

Molecular Properties

Compound Name5-bromo-4-ethyl-2-methylpyrimidine;ethane
PubChem CID162730245
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name5-bromo-4-ethyl-2-methylpyrimidine;ethane
SMILESCC.CCc1nc(C)ncc1Br
InChIInChI=1S/C7H9BrN2.C2H6/c1-3-7-6(8)4-9-5(2)10-7;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyKJYDPNDIHTZQJP-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylpyrimidin-4-yl)methanamine
CID 82506310
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
5-bromo-2-cyclopropyl-4-ethylpyrimidine
CID 82374760
(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol
CID 130927837
(2,5-dimethylpyrimidin-4-yl)methanol
CID 58143239
5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618
2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol
CID 142533287
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
5-bromo-6-ethylpyridin-3-amine
CID 105453283
1-(5-bromo-2-methylpyrimidin-4-yl)ethanone
CID 83886527
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-2-methylpyrimidine;ethane?
The IUPAC name of 5-bromo-4-ethyl-2-methylpyrimidine;ethane (CID 162730245) is 5-bromo-4-ethyl-2-methylpyrimidine;ethane.
What is the SMILES notation for 5-bromo-4-ethyl-2-methylpyrimidine;ethane?
The canonical SMILES for 5-bromo-4-ethyl-2-methylpyrimidine;ethane is CC.CCc1nc(C)ncc1Br.
What is the InChIKey of 5-bromo-4-ethyl-2-methylpyrimidine;ethane?
The InChIKey is KJYDPNDIHTZQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.C2H6/c1-3-7-6(8)4-9-5(2)10-7;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of 5-bromo-4-ethyl-2-methylpyrimidine;ethane?
5-bromo-4-ethyl-2-methylpyrimidine;ethane has a molecular weight of 231.14 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-2-methylpyrimidine;ethane is sourced from PubChem (CID 162730245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).