(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea

C6H7ClN4S2 — CID 4275900

IUPAC(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea
SMILESCSc1nc(Cl)cc(NC(N)=S)n1
InChIInChI=1S/C6H7ClN4S2/c1-13-6-9-3(7)2-4(11-6)10-5(8)12/h2H,1H3,(H3,8,9,10,11,12)
InChIKeyOSGCBXNEKGWHSJ-UHFFFAOYSA-N
MW234.74 g/mol
LogP1.51
Rot. Bonds2

About (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea

(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea (PubChem CID 4275900) has the molecular formula C6H7ClN4S2 and a molecular weight of 234.74 g/mol. Its IUPAC name is (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea.

Molecular Properties

Compound Name(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea
PubChem CID4275900
Molecular FormulaC6H7ClN4S2
Molecular Weight234.74 g/mol
Exact Mass233.98
IUPAC Name(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea
SMILESCSc1nc(Cl)cc(NC(N)=S)n1
InChIInChI=1S/C6H7ClN4S2/c1-13-6-9-3(7)2-4(11-6)10-5(8)12/h2H,1H3,(H3,8,9,10,11,12)
InChIKeyOSGCBXNEKGWHSJ-UHFFFAOYSA-N
XLogP1.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.74
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80547085
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283
cis-(1R,2S)-2-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 97164944
1-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-4-methylbenzene-1,2-diamine
CID 86686747
6-chloro-N-(1-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546866
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80547202
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea?
The IUPAC name of (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea (CID 4275900) is (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea.
What is the SMILES notation for (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea?
The canonical SMILES for (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea is CSc1nc(Cl)cc(NC(N)=S)n1.
What is the InChIKey of (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea?
The InChIKey is OSGCBXNEKGWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4S2/c1-13-6-9-3(7)2-4(11-6)10-5(8)12/h2H,1H3,(H3,8,9,10,11,12).
What are the key properties of (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea?
(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea has a molecular weight of 234.74 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea is sourced from PubChem (CID 4275900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).