2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine

C10H16N4S — CID 80595463

IUPAC2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCC2CCCCS2)nc1
InChIInChI=1S/C10H16N4S/c11-8-5-12-10(13-6-8)14-7-9-3-1-2-4-15-9/h5-6,9H,1-4,7,11H2,(H,12,13,14)
InChIKeyZTIANYBXJUHEOY-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.76
Rot. Bonds3

About 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine

2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine (PubChem CID 80595463) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
PubChem CID80595463
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCC2CCCCS2)nc1
InChIInChI=1S/C10H16N4S/c11-8-5-12-10(13-6-8)14-7-9-3-1-2-4-15-9/h5-6,9H,1-4,7,11H2,(H,12,13,14)
InChIKeyZTIANYBXJUHEOY-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine (CID 80595463) is 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine is Nc1cnc(NCC2CCCCS2)nc1.
What is the InChIKey of 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine?
The InChIKey is ZTIANYBXJUHEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-8-5-12-10(13-6-8)14-7-9-3-1-2-4-15-9/h5-6,9H,1-4,7,11H2,(H,12,13,14).
What are the key properties of 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine?
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 80595463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).