6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide

C13H21N5S — CID 107546988

IUPAC6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C13H21N5S/c1-10-9-11(12(14)19)17-13(16-10)15-5-8-18-6-3-2-4-7-18/h9H,2-8H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyJDKZQHCUOLDTOZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.32
Rot. Bonds5

About 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide

6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide (PubChem CID 107546988) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
PubChem CID107546988
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C13H21N5S/c1-10-9-11(12(14)19)17-13(16-10)15-5-8-18-6-3-2-4-7-18/h9H,2-8H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyJDKZQHCUOLDTOZ-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'}

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Related Compounds

6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
CID 107548002
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-6-methylpyrimidine-4-carbothioamide
CID 107548151
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546417
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
6-methyl-4-N-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 46225991
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
6-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidine-4-carbothioamide
CID 107548008
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653
4-methyl-N-(2-morpholin-4-ylethyl)-6-piperidin-1-ylpyrimidin-2-amine
CID 112909978
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
2-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546898

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide (CID 107546988) is 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NCCN2CCCCC2)n1.
What is the InChIKey of 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide?
The InChIKey is JDKZQHCUOLDTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-10-9-11(12(14)19)17-13(16-10)15-5-8-18-6-3-2-4-7-18/h9H,2-8H2,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide?
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-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 6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).