(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide

C6H10N6OS — CID 7415780

IUPAC(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc(N)nc(N)n1)C(N)=O
InChIInChI=1S/C6H10N6OS/c1-2(3(7)13)14-6-11-4(8)10-5(9)12-6/h2H,1H3,(H2,7,13)(H4,8,9,10,11,12)/t2-/m1/s1
InChIKeyYZBXJNWCZXXCJE-UWTATZPHSA-N
MW214.25 g/mol
LogP-1.00
Rot. Bonds3

About (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide

(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide (PubChem CID 7415780) has the molecular formula C6H10N6OS and a molecular weight of 214.25 g/mol. Its IUPAC name is (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
PubChem CID7415780
Molecular FormulaC6H10N6OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc(N)nc(N)n1)C(N)=O
InChIInChI=1S/C6H10N6OS/c1-2(3(7)13)14-6-11-4(8)10-5(9)12-6/h2H,1H3,(H2,7,13)(H4,8,9,10,11,12)/t2-/m1/s1
InChIKeyYZBXJNWCZXXCJE-UWTATZPHSA-N
XLogP-1.00
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide (CID 7415780) is (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nc(N)nc(N)n1)C(N)=O.
What is the InChIKey of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
The InChIKey is YZBXJNWCZXXCJE-UWTATZPHSA-N. The full InChI is InChI=1S/C6H10N6OS/c1-2(3(7)13)14-6-11-4(8)10-5(9)12-6/h2H,1H3,(H2,7,13)(H4,8,9,10,11,12)/t2-/m1/s1.
What are the key properties of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide has a molecular weight of 214.25 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7415780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).