2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

C11H19N5S — CID 649133

IUPAC2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C11H19N5S/c12-9-8-10(13)15-11(14-9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H4,12,13,14,15)
InChIKeyCUCWGVZDHRZRRP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.22
Rot. Bonds4

About 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 649133) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID649133
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C11H19N5S/c12-9-8-10(13)15-11(14-9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H4,12,13,14,15)
InChIKeyCUCWGVZDHRZRRP-UHFFFAOYSA-N
XLogP1.22
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 857392
2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 2187682
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 646575
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 3173019
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16305279
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 652687
2-(Piperidin-1-yl)pyrimidine-4,6-diamine
CID 16653160
2H-Pyrimido(2,1-b)thiazin-5-ium, 3,4-dihydro-6,8-diamino-, chloride
CID 13285549
4,6-Pyrimidinediamine, 2,2'-(1,5-pentanediylbis(thio))bis-
CID 13285555
2,2'-(Hexane-1,6-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 13285556

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine (CID 649133) is 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCCN2CCCCC2)n1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is CUCWGVZDHRZRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c12-9-8-10(13)15-11(14-9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H4,12,13,14,15).
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine?
2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 253.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 649133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).