1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea

C7H10N4OS — CID 135981087

IUPAC1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
SMILESCNC(=S)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H10N4OS/c1-4-3-5(12)10-6(9-4)11-7(13)8-2/h3H,1-2H3,(H3,8,9,10,11,12,13)
InChIKeyBPQDUSCKPUYOBB-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.01
Rot. Bonds1

About 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea

1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea (PubChem CID 135981087) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
PubChem CID135981087
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
SMILESCNC(=S)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H10N4OS/c1-4-3-5(12)10-6(9-4)11-7(13)8-2/h3H,1-2H3,(H3,8,9,10,11,12,13)
InChIKeyBPQDUSCKPUYOBB-UHFFFAOYSA-N
XLogP-0.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-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

ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 135511505
2-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137178461
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
CID 137229327
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
CID 137232321
1-(2-isocyanatoethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139347372
4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975
(3E)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea
CID 136646647
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl 2-methylpropanoate
CID 135965731

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
The IUPAC name of 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea (CID 135981087) is 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
The canonical SMILES for 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea is CNC(=S)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
The InChIKey is BPQDUSCKPUYOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-4-3-5(12)10-6(9-4)11-7(13)8-2/h3H,1-2H3,(H3,8,9,10,11,12,13).
What are the key properties of 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea has a molecular weight of 198.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea is sourced from PubChem (CID 135981087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).