2-(methylamino)-1H-pyrimidine-6-thione

C5H7N3S — CID 141165945

IUPAC2-(methylamino)-1H-pyrimidine-6-thione
SMILESCNc1nccc(=S)[nH]1
InChIInChI=1S/C5H7N3S/c1-6-5-7-3-2-4(9)8-5/h2-3H,1H3,(H2,6,7,8,9)
InChIKeySKRNJLZKSICHFX-UHFFFAOYSA-N
MW141.20 g/mol
LogP1.18
Rot. Bonds1

About 2-(methylamino)-1H-pyrimidine-6-thione

2-(methylamino)-1H-pyrimidine-6-thione (PubChem CID 141165945) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 2-(methylamino)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(methylamino)-1H-pyrimidine-6-thione
PubChem CID141165945
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name2-(methylamino)-1H-pyrimidine-6-thione
SMILESCNc1nccc(=S)[nH]1
InChIInChI=1S/C5H7N3S/c1-6-5-7-3-2-4(9)8-5/h2-3H,1H3,(H2,6,7,8,9)
InChIKeySKRNJLZKSICHFX-UHFFFAOYSA-N
XLogP1.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methylamino)-1H-pyrimidine-6-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

1,4-Dihydropyrimidine-4-thione
CID 3978733
2-Aminopyrimidine-4(1H)-thione
CID 4377786
2-Amino-3-methyl-4(3H)-pyrimidinethione
CID 55281180
2-(Dimethylamino)-4(3H)-pyrimidinethione
CID 64829651
Dihydro-4(3H)-pyrimidinthion
CID 18173008
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
5-deuterio-1H-pyrimidine-6-thione
CID 59374844
2-methylidene-1H-pyrimidine-4-thione
CID 88377339
2-(cyclopropylamino)-1H-pyrimidine-6-thione
CID 123629443
2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione
CID 139949444
2-amino-2,3-dihydro-1H-pyrimidine-4-thione
CID 141423893
ethane;1H-pyrimidine-6-thione
CID 144155144

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(methylamino)-1H-pyrimidine-6-thione (CID 141165945) is 2-(methylamino)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(methylamino)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(methylamino)-1H-pyrimidine-6-thione is CNc1nccc(=S)[nH]1.
What is the InChIKey of 2-(methylamino)-1H-pyrimidine-6-thione?
The InChIKey is SKRNJLZKSICHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-6-5-7-3-2-4(9)8-5/h2-3H,1H3,(H2,6,7,8,9).
What are the key properties of 2-(methylamino)-1H-pyrimidine-6-thione?
2-(methylamino)-1H-pyrimidine-6-thione has a molecular weight of 141.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1H-pyrimidine-6-thione is sourced from PubChem (CID 141165945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).