4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine

C17H19ClN2 — CID 114606761

IUPAC4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2ccccc2C2CCC2)n1
InChIInChI=1S/C17H19ClN2/c1-2-6-17-19-15(11-16(18)20-17)14-10-4-3-9-13(14)12-7-5-8-12/h3-4,9-12H,2,5-8H2,1H3
InChIKeyBAFFDGITICEGBC-UHFFFAOYSA-N
MW286.81 g/mol
LogP5.02
Rot. Bonds4

About 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine

4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine (PubChem CID 114606761) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine
PubChem CID114606761
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2ccccc2C2CCC2)n1
InChIInChI=1S/C17H19ClN2/c1-2-6-17-19-15(11-16(18)20-17)14-10-4-3-9-13(14)12-7-5-8-12/h3-4,9-12H,2,5-8H2,1H3
InChIKeyBAFFDGITICEGBC-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.81
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-chloro-6-(2-cyclobutylphenyl)pyrimidine
CID 114606804
2-chloro-6-(2-cyclobutylphenyl)pyridine
CID 114606707
6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 114607065
6-(2-cyclobutylphenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114607055
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467
4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
CID 80946541
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-6-propylpyrimidine
CID 64982448
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine (CID 114606761) is 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2ccccc2C2CCC2)n1.
What is the InChIKey of 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine?
The InChIKey is BAFFDGITICEGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-2-6-17-19-15(11-16(18)20-17)14-10-4-3-9-13(14)12-7-5-8-12/h3-4,9-12H,2,5-8H2,1H3.
What are the key properties of 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine?
4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine has a molecular weight of 286.81 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine is sourced from PubChem (CID 114606761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).