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

C6H8N4OS — CID 135637172

IUPAC(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
SMILESCc1cc(=O)[nH]c(NC(N)=S)n1
InChIInChI=1S/C6H8N4OS/c1-3-2-4(11)9-6(8-3)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)
InChIKeyZZCAKQDBKKNOIN-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.27
Rot. Bonds1

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

(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea (PubChem CID 135637172) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea.

Molecular Properties

Compound Name(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
PubChem CID135637172
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
SMILESCc1cc(=O)[nH]c(NC(N)=S)n1
InChIInChI=1S/C6H8N4OS/c1-3-2-4(11)9-6(8-3)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)
InChIKeyZZCAKQDBKKNOIN-UHFFFAOYSA-N
XLogP-0.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methylthiouracil
CID 667493
2-Amino-6-methylpyrimidin-4-one
CID 135402055
2-Cyanoamino-4-Hydroxy-6-Methylpyrimidine
CID 135454173
N-(4-hydroxy-6-methylpyrimidin-2-yl)acetamide
CID 135455254
2-(Dimethylamino)-6-methyl-3H-pyrimidin-4-one
CID 135627633
N-[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]thiourea
CID 135494826
(4-Hydroxy-6-methylpyrimidin-2-yl)urea
CID 135408702
CID 161215610
CID 161215610
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 136656875
6-Methyl-2-thiouracil-6-amino-3H-isocytosine-dimethylformamide (1/1/1)
CID 139062013
6-Methyl-2-thiouracil-6-amino-3H-isocytosine-dimethyl sulfoxide (1/1/1)
CID 139062014
(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
CID 135553588

Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
The IUPAC name of (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea (CID 135637172) is (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea.
What is the SMILES notation for (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
The canonical SMILES for (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea is Cc1cc(=O)[nH]c(NC(N)=S)n1.
What is the InChIKey of (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
The InChIKey is ZZCAKQDBKKNOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c1-3-2-4(11)9-6(8-3)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12).
What are the key properties of (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea?
(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea has a molecular weight of 184.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea is sourced from PubChem (CID 135637172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).