2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide

C7H12N6OS — CID 63581279

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
SMILESCC(Sc1nc(N)cc(N)n1)C(=O)NN
InChIInChI=1S/C7H12N6OS/c1-3(6(14)13-10)15-7-11-4(8)2-5(9)12-7/h2-3H,10H2,1H3,(H,13,14)(H4,8,9,11,12)
InChIKeyULSDSULYTCTKHM-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.89
Rot. Bonds3

About 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide

2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide (PubChem CID 63581279) has the molecular formula C7H12N6OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
PubChem CID63581279
Molecular FormulaC7H12N6OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
SMILESCC(Sc1nc(N)cc(N)n1)C(=O)NN
InChIInChI=1S/C7H12N6OS/c1-3(6(14)13-10)15-7-11-4(8)2-5(9)12-7/h2-3H,10H2,1H3,(H,13,14)(H4,8,9,11,12)
InChIKeyULSDSULYTCTKHM-UHFFFAOYSA-N
XLogP-0.89
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
ethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 60589152
4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23886491
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46583643
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40623023
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 25332600
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
N-(3-chloro-4-methoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 43022541
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide (CID 63581279) is 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide is CC(Sc1nc(N)cc(N)n1)C(=O)NN.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide?
The InChIKey is ULSDSULYTCTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6OS/c1-3(6(14)13-10)15-7-11-4(8)2-5(9)12-7/h2-3H,10H2,1H3,(H,13,14)(H4,8,9,11,12).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide?
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide has a molecular weight of 228.28 g/mol, XLogP of -0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide is sourced from PubChem (CID 63581279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).