4-(thiophen-2-ylmethyl)pteridine

C11H8N4S — CID 69024679

IUPAC4-(thiophen-2-ylmethyl)pteridine
SMILESc1csc(Cc2ncnc3nccnc23)c1
InChIInChI=1S/C11H8N4S/c1-2-8(16-5-1)6-9-10-11(15-7-14-9)13-4-3-12-10/h1-5,7H,6H2
InChIKeyWAKYBMHZXFNZTD-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.07
Rot. Bonds2

About 4-(thiophen-2-ylmethyl)pteridine

4-(thiophen-2-ylmethyl)pteridine (PubChem CID 69024679) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)pteridine.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)pteridine
PubChem CID69024679
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name4-(thiophen-2-ylmethyl)pteridine
SMILESc1csc(Cc2ncnc3nccnc23)c1
InChIInChI=1S/C11H8N4S/c1-2-8(16-5-1)6-9-10-11(15-7-14-9)13-4-3-12-10/h1-5,7H,6H2
InChIKeyWAKYBMHZXFNZTD-UHFFFAOYSA-N
XLogP2.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 121206379
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 118564355
5-(thiophen-2-ylmethyl)pyrimidine
CID 166530274
sodium 2-(thiophen-2-ylmethyl)phenolate
CID 101328659
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
CID 115087573
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
1-quinolin-8-yl-2-thiophen-2-ylethanamine
CID 81231172
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
CID 59269201
CID 59269201
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethyl)pteridine?
The IUPAC name of 4-(thiophen-2-ylmethyl)pteridine (CID 69024679) is 4-(thiophen-2-ylmethyl)pteridine.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)pteridine?
The canonical SMILES for 4-(thiophen-2-ylmethyl)pteridine is c1csc(Cc2ncnc3nccnc23)c1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)pteridine?
The InChIKey is WAKYBMHZXFNZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-8(16-5-1)6-9-10-11(15-7-14-9)13-4-3-12-10/h1-5,7H,6H2.
What are the key properties of 4-(thiophen-2-ylmethyl)pteridine?
4-(thiophen-2-ylmethyl)pteridine has a molecular weight of 228.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)pteridine is sourced from PubChem (CID 69024679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).