2-(4-butylphenyl)-5-propylpyrimidine

C17H22N2 — CID 611185

IUPAC2-(4-butylphenyl)-5-propylpyrimidine
SMILESCCCCc1ccc(-c2ncc(CCC)cn2)cc1
InChIInChI=1S/C17H22N2/c1-3-5-7-14-8-10-16(11-9-14)17-18-12-15(6-4-2)13-19-17/h8-13H,3-7H2,1-2H3
InChIKeyOJTZWJNIJQJOEW-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-butylphenyl)-5-propylpyrimidine

2-(4-butylphenyl)-5-propylpyrimidine (PubChem CID 611185) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-butylphenyl)-5-propylpyrimidine
PubChem CID611185
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(4-butylphenyl)-5-propylpyrimidine
SMILESCCCCc1ccc(-c2ncc(CCC)cn2)cc1
InChIInChI=1S/C17H22N2/c1-3-5-7-14-8-10-16(11-9-14)17-18-12-15(6-4-2)13-19-17/h8-13H,3-7H2,1-2H3
InChIKeyOJTZWJNIJQJOEW-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784
2-(4-butylphenyl)pyrimidin-5-amine
CID 82288047

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-5-propylpyrimidine?
The IUPAC name of 2-(4-butylphenyl)-5-propylpyrimidine (CID 611185) is 2-(4-butylphenyl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-butylphenyl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-butylphenyl)-5-propylpyrimidine is CCCCc1ccc(-c2ncc(CCC)cn2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-5-propylpyrimidine?
The InChIKey is OJTZWJNIJQJOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-5-7-14-8-10-16(11-9-14)17-18-12-15(6-4-2)13-19-17/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-5-propylpyrimidine?
2-(4-butylphenyl)-5-propylpyrimidine has a molecular weight of 254.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-5-propylpyrimidine is sourced from PubChem (CID 611185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).