(4,6-dimethylpyrimidin-2-yl)thiourea

C7H10N4S — CID 747500

IUPAC(4,6-dimethylpyrimidin-2-yl)thiourea
SMILESCc1cc(C)nc(NC(N)=S)n1
InChIInChI=1S/C7H10N4S/c1-4-3-5(2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyHRVSCCSCURRUPW-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.75
Rot. Bonds1

About (4,6-dimethylpyrimidin-2-yl)thiourea

(4,6-dimethylpyrimidin-2-yl)thiourea (PubChem CID 747500) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)thiourea.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)thiourea
PubChem CID747500
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name(4,6-dimethylpyrimidin-2-yl)thiourea
SMILESCc1cc(C)nc(NC(N)=S)n1
InChIInChI=1S/C7H10N4S/c1-4-3-5(2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyHRVSCCSCURRUPW-UHFFFAOYSA-N
XLogP0.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4,6-dimethylpyrimidin-2-yl)thiourea 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

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
4,6-Dimethylpyrimidine
CID 15257
2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
CID 736679
2-Hydrazinyl-4,6-dimethylpyrimidine
CID 350535
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydro-1H-imidazole-1-carbothioamide
CID 753519
1-Cyano-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylthiourea
CID 847357
N,4,6-Trimethyl-2-pyrimidinamine
CID 12223747
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl)thiourea?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)thiourea (CID 747500) is (4,6-dimethylpyrimidin-2-yl)thiourea.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)thiourea?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)thiourea is Cc1cc(C)nc(NC(N)=S)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)thiourea?
The InChIKey is HRVSCCSCURRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-4-3-5(2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of (4,6-dimethylpyrimidin-2-yl)thiourea?
(4,6-dimethylpyrimidin-2-yl)thiourea has a molecular weight of 182.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)thiourea is sourced from PubChem (CID 747500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).