4-(5-hexylthiophen-2-yl)-2-methylpyrimidine

C15H20N2S — CID 118281567

IUPAC4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
SMILESCCCCCCc1ccc(-c2ccnc(C)n2)s1
InChIInChI=1S/C15H20N2S/c1-3-4-5-6-7-13-8-9-15(18-13)14-10-11-16-12(2)17-14/h8-11H,3-7H2,1-2H3
InChIKeyJJNCBMJZFOHQRD-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.64
Rot. Bonds6

About 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine

4-(5-hexylthiophen-2-yl)-2-methylpyrimidine (PubChem CID 118281567) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
PubChem CID118281567
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
SMILESCCCCCCc1ccc(-c2ccnc(C)n2)s1
InChIInChI=1S/C15H20N2S/c1-3-4-5-6-7-13-8-9-15(18-13)14-10-11-16-12(2)17-14/h8-11H,3-7H2,1-2H3
InChIKeyJJNCBMJZFOHQRD-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2,5-diheptylthiophene
CID 607114
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine
CID 170567143
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 58321391
4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-7-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 102170175

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine?
The IUPAC name of 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine (CID 118281567) is 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine?
The canonical SMILES for 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine is CCCCCCc1ccc(-c2ccnc(C)n2)s1.
What is the InChIKey of 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine?
The InChIKey is JJNCBMJZFOHQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-4-5-6-7-13-8-9-15(18-13)14-10-11-16-12(2)17-14/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine?
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine has a molecular weight of 260.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hexylthiophen-2-yl)-2-methylpyrimidine is sourced from PubChem (CID 118281567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).