2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide

C13H21N5S — CID 107546417

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
SMILESCCN1CCCC1CNc1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C13H21N5S/c1-3-18-6-4-5-10(18)8-15-13-16-9(2)7-11(17-13)12(14)19/h7,10H,3-6,8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyHWMWWROUFHVMQI-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.32
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide

2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide (PubChem CID 107546417) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
PubChem CID107546417
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
SMILESCCN1CCCC1CNc1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C13H21N5S/c1-3-18-6-4-5-10(18)8-15-13-16-9(2)7-11(17-13)12(14)19/h7,10H,3-6,8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyHWMWWROUFHVMQI-UHFFFAOYSA-N
XLogP1.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide 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

2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
2-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546898
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
2-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107546727
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80773177
6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
CID 107548002
2-(1-cyclopentylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547540
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide (CID 107546417) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide is CCN1CCCC1CNc1nc(C)cc(C(N)=S)n1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide?
The InChIKey is HWMWWROUFHVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-3-18-6-4-5-10(18)8-15-13-16-9(2)7-11(17-13)12(14)19/h7,10H,3-6,8H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide?
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107546417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).