1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea

C10H13N5OS2 — CID 139237256

IUPAC1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea
SMILESCNC(=S)NNc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C10H13N5OS2/c1-4-5(2)18-8-6(4)7(16)12-9(13-8)14-15-10(17)11-3/h1-3H3,(H2,11,15,17)(H2,12,13,14,16)
InChIKeyUGAMFGWQLCSCHQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.02
Rot. Bonds2

About 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea

1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea (PubChem CID 139237256) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea
PubChem CID139237256
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea
SMILESCNC(=S)NNc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C10H13N5OS2/c1-4-5(2)18-8-6(4)7(16)12-9(13-8)14-15-10(17)11-3/h1-3H3,(H2,11,15,17)(H2,12,13,14,16)
InChIKeyUGAMFGWQLCSCHQ-UHFFFAOYSA-N
XLogP1.02
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea 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-(3-aminopropylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 155816850
5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 142673136
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8601804
N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 171053495
5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one
CID 155808823
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-aminoacetate
CID 71305221
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-methylpropanamide
CID 18106396
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 8601822
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide
CID 43090388
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(2,5-dimethylphenyl)thiourea
CID 8601820

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea?
The IUPAC name of 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea (CID 139237256) is 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea.
What is the SMILES notation for 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea?
The canonical SMILES for 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea is CNC(=S)NNc1nc2sc(C)c(C)c2c(=O)[nH]1.
What is the InChIKey of 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea?
The InChIKey is UGAMFGWQLCSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-4-5(2)18-8-6(4)7(16)12-9(13-8)14-15-10(17)11-3/h1-3H3,(H2,11,15,17)(H2,12,13,14,16).
What are the key properties of 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea?
1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea has a molecular weight of 283.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea is sourced from PubChem (CID 139237256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).