4-N-thiophen-2-ylpyrimidine-4,5-diamine

C8H8N4S — CID 83618912

IUPAC4-N-thiophen-2-ylpyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1cccs1
InChIInChI=1S/C8H8N4S/c9-6-4-10-5-11-8(6)12-7-2-1-3-13-7/h1-5H,9H2,(H,10,11,12)
InChIKeyRTHWIGJEOZXJJW-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.86
Rot. Bonds2

About 4-N-thiophen-2-ylpyrimidine-4,5-diamine

4-N-thiophen-2-ylpyrimidine-4,5-diamine (PubChem CID 83618912) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-N-thiophen-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-thiophen-2-ylpyrimidine-4,5-diamine
PubChem CID83618912
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name4-N-thiophen-2-ylpyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1cccs1
InChIInChI=1S/C8H8N4S/c9-6-4-10-5-11-8(6)12-7-2-1-3-13-7/h1-5H,9H2,(H,10,11,12)
InChIKeyRTHWIGJEOZXJJW-UHFFFAOYSA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-thiophen-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-thiophen-2-ylpyrimidine-4,5-diamine (CID 83618912) is 4-N-thiophen-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-thiophen-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-thiophen-2-ylpyrimidine-4,5-diamine is Nc1cncnc1Nc1cccs1.
What is the InChIKey of 4-N-thiophen-2-ylpyrimidine-4,5-diamine?
The InChIKey is RTHWIGJEOZXJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-6-4-10-5-11-8(6)12-7-2-1-3-13-7/h1-5H,9H2,(H,10,11,12).
What are the key properties of 4-N-thiophen-2-ylpyrimidine-4,5-diamine?
4-N-thiophen-2-ylpyrimidine-4,5-diamine has a molecular weight of 192.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-thiophen-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 83618912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).