6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide

C10H14N4S — CID 107548077

IUPAC6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NC2(C)CC2)n1
InChIInChI=1S/C10H14N4S/c1-6-5-7(8(11)15)13-9(12-6)14-10(2)3-4-10/h5H,3-4H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyRPPHNTUZARBFAY-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.38
Rot. Bonds3

About 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide

6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide (PubChem CID 107548077) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide
PubChem CID107548077
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NC2(C)CC2)n1
InChIInChI=1S/C10H14N4S/c1-6-5-7(8(11)15)13-9(12-6)14-10(2)3-4-10/h5H,3-4H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyRPPHNTUZARBFAY-UHFFFAOYSA-N
XLogP1.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.38
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-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
6-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrimidine-4-carbothioamide
CID 107547944
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
CID 107546191
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide
CID 107546628
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653
6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547305
2-(1-cyclopentylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547540
2-(2,3-dimethylbutylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547586

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide (CID 107548077) is 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NC2(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide?
The InChIKey is RPPHNTUZARBFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6-5-7(8(11)15)13-9(12-6)14-10(2)3-4-10/h5H,3-4H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide?
6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide has a molecular weight of 222.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).