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

C11H16N4S — CID 107548041

IUPAC6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCC2CC2C)n1
InChIInChI=1S/C11H16N4S/c1-6-3-8(6)5-13-11-14-7(2)4-9(15-11)10(12)16/h4,6,8H,3,5H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyYVPPSXIZOLNFHT-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.49
Rot. Bonds4

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

6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide (PubChem CID 107548041) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
PubChem CID107548041
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCC2CC2C)n1
InChIInChI=1S/C11H16N4S/c1-6-3-8(6)5-13-11-14-7(2)4-9(15-11)10(12)16/h4,6,8H,3,5H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyYVPPSXIZOLNFHT-UHFFFAOYSA-N
XLogP1.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.49
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

2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546417
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
2-(2,3-dimethylbutylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547586
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547305
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
CID 107548002
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
2-[(2-ethylphenyl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547600

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide (CID 107548041) is 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NCC2CC2C)n1.
What is the InChIKey of 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide?
The InChIKey is YVPPSXIZOLNFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-6-3-8(6)5-13-11-14-7(2)4-9(15-11)10(12)16/h4,6,8H,3,5H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide?
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide has a molecular weight of 236.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).