5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione

C6H10N4S — CID 171384157

IUPAC5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1[nH]c(C)nc(=S)c1N
InChIInChI=1S/C6H10N4S/c1-3-9-5(8-2)4(7)6(11)10-3/h7H2,1-2H3,(H2,8,9,10,11)
InChIKeyNFUYTOPSABJGGI-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.07
Rot. Bonds1

About 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione

5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione (PubChem CID 171384157) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
PubChem CID171384157
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1[nH]c(C)nc(=S)c1N
InChIInChI=1S/C6H10N4S/c1-3-9-5(8-2)4(7)6(11)10-3/h7H2,1-2H3,(H2,8,9,10,11)
InChIKeyNFUYTOPSABJGGI-UHFFFAOYSA-N
XLogP1.07
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione 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

5-Amino-6-(methylamino)pyrimidine-4-thiol
CID 761453
5,6-Diamino-2-methyl-4(1H)-pyrimidinethione
CID 5373477
5-Amino-4-isopropylamino-6-mercaptopyrimidine
CID 13481192
5-Amino-6-(diethylamino)-2-methylpyrimidine-4(1H)-thione
CID 13293305
5-amino-6-(dipropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085325
5-amino-6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085361
5-amino-6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085369
5,6-diamino-2-ethyl-1H-pyrimidine-4-thione
CID 69723729
2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione
CID 89219226
(5-amino-4-sulfanylidene-1H-pyrimidin-6-yl)-methylazanium
CID 163498451
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
2,5-diamino-6-(butylamino)-1H-pyrimidine-4-thione
CID 130009881

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione (CID 171384157) is 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione is CNc1[nH]c(C)nc(=S)c1N.
What is the InChIKey of 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione?
The InChIKey is NFUYTOPSABJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-3-9-5(8-2)4(7)6(11)10-3/h7H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione?
5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione has a molecular weight of 170.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-6-(methylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 171384157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).