2,4-dibutyl-5-chloropyrimidine

C12H19ClN2 — CID 139215017

IUPAC2,4-dibutyl-5-chloropyrimidine
SMILESCCCCc1ncc(Cl)c(CCCC)n1
InChIInChI=1S/C12H19ClN2/c1-3-5-7-11-10(13)9-14-12(15-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyYNEYYMXQXIZYHG-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.82
Rot. Bonds6

About 2,4-dibutyl-5-chloropyrimidine

2,4-dibutyl-5-chloropyrimidine (PubChem CID 139215017) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2,4-dibutyl-5-chloropyrimidine.

Molecular Properties

Compound Name2,4-dibutyl-5-chloropyrimidine
PubChem CID139215017
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2,4-dibutyl-5-chloropyrimidine
SMILESCCCCc1ncc(Cl)c(CCCC)n1
InChIInChI=1S/C12H19ClN2/c1-3-5-7-11-10(13)9-14-12(15-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyYNEYYMXQXIZYHG-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
5-Chloro-4-methylpyrimidine-2-carbonitrile
CID 13860976
4-Butyl-6-chloropyrimidine
CID 33676399
2,4-Diethyl-5-fluoropyrimidine
CID 132229551
5-Chloro-2,4-diethylpyrimidine
CID 134912842
4-Butyl-2-chloropyrimidine
CID 14745024
2,4-Dihexylpyrimidine
CID 139215002
5-Chloro-2-propyl-4-(trifluoromethyl)pyrimidine
CID 22008863
2-Butyl-5-chloro-4-(trifluoromethyl)pyrimidine
CID 54208297
5-chloro-N-cyclohexyl-6-ethyl-N-(2-fluoropropan-2-yl)pyrimidin-4-amine
CID 67685896
5-Chloro-4-(1-fluoroprop-2-enyl)pyrimidine
CID 70167364
5-Chloro-4-(2-fluorohexan-2-yl)pyrimidine
CID 70181267

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-5-chloropyrimidine?
The IUPAC name of 2,4-dibutyl-5-chloropyrimidine (CID 139215017) is 2,4-dibutyl-5-chloropyrimidine.
What is the SMILES notation for 2,4-dibutyl-5-chloropyrimidine?
The canonical SMILES for 2,4-dibutyl-5-chloropyrimidine is CCCCc1ncc(Cl)c(CCCC)n1.
What is the InChIKey of 2,4-dibutyl-5-chloropyrimidine?
The InChIKey is YNEYYMXQXIZYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-5-7-11-10(13)9-14-12(15-11)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2,4-dibutyl-5-chloropyrimidine?
2,4-dibutyl-5-chloropyrimidine has a molecular weight of 226.75 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-5-chloropyrimidine is sourced from PubChem (CID 139215017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).