4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine

C10H12N4S — CID 63867602

IUPAC4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2ccsc2)n1
InChIInChI=1S/C10H12N4S/c1-2-3-8-12-9(14-10(11)13-8)7-4-5-15-6-7/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyDYPALFWKEYAXBJ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.13
Rot. Bonds3

About 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine

4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine (PubChem CID 63867602) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine
PubChem CID63867602
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2ccsc2)n1
InChIInChI=1S/C10H12N4S/c1-2-3-8-12-9(14-10(11)13-8)7-4-5-15-6-7/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyDYPALFWKEYAXBJ-UHFFFAOYSA-N
XLogP2.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine (CID 63867602) is 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(-c2ccsc2)n1.
What is the InChIKey of 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine?
The InChIKey is DYPALFWKEYAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-3-8-12-9(14-10(11)13-8)7-4-5-15-6-7/h4-6H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine?
4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).