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

Analyze 2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
6-bromo-2-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796124
5-nitro-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 80586665
4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595606
2,6-dichloro-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 106890621
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
CID 80596479
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
2-(difluoromethyl)-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 80594855
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102

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).