(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium

C5H9N4S+ — CID 163498451

IUPAC(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium
SMILESC[NH2+]c1[nH]cnc(=S)c1N
InChIInChI=1S/C5H8N4S/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10)/p+1
InChIKeyCSRKVKSYIGUWJE-UHFFFAOYSA-O
MW157.22 g/mol
LogP-0.45
Rot. Bonds1

About (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium

(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium (PubChem CID 163498451) has the molecular formula C5H9N4S+ and a molecular weight of 157.22 g/mol. Its IUPAC name is (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium.

Molecular Properties

Compound Name(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium
PubChem CID163498451
Molecular FormulaC5H9N4S+
Molecular Weight157.22 g/mol
Exact Mass157.05
IUPAC Name(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium
SMILESC[NH2+]c1[nH]cnc(=S)c1N
InChIInChI=1S/C5H8N4S/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10)/p+1
InChIKeyCSRKVKSYIGUWJE-UHFFFAOYSA-O
XLogP-0.45
TPSA71.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5,6-Diaminopyrimidine-4-thiol
CID 1201414
5-Amino-6-(methylamino)pyrimidine-4-thiol
CID 761453
Pyrimidine, 5-amino-4-mercapto-2-methyl-6-methylamino-
CID 171384157
5-Amino-6-(dimethylamino)pyrimidine-4(1H)-thione
CID 12197809
5-Amino-4-isopropylamino-6-mercaptopyrimidine
CID 13481192
5-amino-6-(diethylamino)-1H-pyrimidine-4-thione
CID 20085332
3,7,8,9-Tetrahydropurine-6-thione
CID 24867573
2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione
CID 89219226
5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione
CID 123847663
2-amino-5-diazenyl-6-(dimethylamino)-1H-pyrimidine-4-thione
CID 136422084
5-amino-6-[amino(methyl)amino]-1H-pyrimidin-3-ium-4-thione
CID 149116085
3,9-Dihydropurin-9-ium-6-thione
CID 168758057

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium?
The IUPAC name of (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium (CID 163498451) is (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium.
What is the SMILES notation for (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium?
The canonical SMILES for (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium is C[NH2+]c1[nH]cnc(=S)c1N.
What is the InChIKey of (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium?
The InChIKey is CSRKVKSYIGUWJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N4S/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10)/p+1.
What are the key properties of (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium?
(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium has a molecular weight of 157.22 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium is sourced from PubChem (CID 163498451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).