4-butyl-2-methyl-6-phenylpyrimidine

C15H18N2 — CID 71620016

IUPAC4-butyl-2-methyl-6-phenylpyrimidine
SMILESCCCCc1cc(-c2ccccc2)nc(C)n1
InChIInChI=1S/C15H18N2/c1-3-4-10-14-11-15(17-12(2)16-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyLBQMLDHRWVBJIF-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.79
Rot. Bonds4

About 4-butyl-2-methyl-6-phenylpyrimidine

4-butyl-2-methyl-6-phenylpyrimidine (PubChem CID 71620016) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-butyl-2-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-butyl-2-methyl-6-phenylpyrimidine
PubChem CID71620016
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-butyl-2-methyl-6-phenylpyrimidine
SMILESCCCCc1cc(-c2ccccc2)nc(C)n1
InChIInChI=1S/C15H18N2/c1-3-4-10-14-11-15(17-12(2)16-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyLBQMLDHRWVBJIF-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-6-phenylpyrimidine
CID 71620017
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine
CID 70828603
2,6-diphenyl-4-propylpyridine
CID 164669086
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
CID 12562149
4-butyl-6-fluoro-2-phenylquinoline
CID 141464456
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
CID 15314730
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
4-butyl-3-chloro-6-phenylpyridazine
CID 140576046

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methyl-6-phenylpyrimidine?
The IUPAC name of 4-butyl-2-methyl-6-phenylpyrimidine (CID 71620016) is 4-butyl-2-methyl-6-phenylpyrimidine.
What is the SMILES notation for 4-butyl-2-methyl-6-phenylpyrimidine?
The canonical SMILES for 4-butyl-2-methyl-6-phenylpyrimidine is CCCCc1cc(-c2ccccc2)nc(C)n1.
What is the InChIKey of 4-butyl-2-methyl-6-phenylpyrimidine?
The InChIKey is LBQMLDHRWVBJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-4-10-14-11-15(17-12(2)16-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 4-butyl-2-methyl-6-phenylpyrimidine?
4-butyl-2-methyl-6-phenylpyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methyl-6-phenylpyrimidine is sourced from PubChem (CID 71620016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).