2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide

C9H12N4S — CID 107546159

IUPAC2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NC2CC2)n1
InChIInChI=1S/C9H12N4S/c1-5-4-7(8(10)14)13-9(11-5)12-6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyCOQTZNRAUNSEDN-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.99
Rot. Bonds3

About 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide

2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide (PubChem CID 107546159) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
PubChem CID107546159
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NC2CC2)n1
InChIInChI=1S/C9H12N4S/c1-5-4-7(8(10)14)13-9(11-5)12-6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyCOQTZNRAUNSEDN-UHFFFAOYSA-N
XLogP0.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.99
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

6-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrimidine-4-carbothioamide
CID 107547944
2-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546898
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
2-(1-cyclopentylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547540
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
CID 107546191
6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide
CID 107548077
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81061276

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide (CID 107546159) is 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide?
The InChIKey is COQTZNRAUNSEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-5-4-7(8(10)14)13-9(11-5)12-6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide?
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide has a molecular weight of 208.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107546159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).