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

C11H19N5S — CID 105061330

IUPAC2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCC2CCNCC2)n1
InChIInChI=1S/C11H19N5S/c12-9-7-10(13)16-11(15-9)17-6-3-8-1-4-14-5-2-8/h7-8,14H,1-6H2,(H4,12,13,15,16)
InChIKeyHLBPAWUEJPKGKX-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.12
Rot. Bonds4

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

2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 105061330) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID105061330
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCC2CCNCC2)n1
InChIInChI=1S/C11H19N5S/c12-9-7-10(13)16-11(15-9)17-6-3-8-1-4-14-5-2-8/h7-8,14H,1-6H2,(H4,12,13,15,16)
InChIKeyHLBPAWUEJPKGKX-UHFFFAOYSA-N
XLogP1.12
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 646575
2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 652687
4,6-Pyrimidinediamine, 2,2'-(1,5-pentanediylbis(thio))bis-
CID 13285555
4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
2-Methylsulfanyl-6-piperidin-1-ylpyrimidin-4-amine
CID 20250312
2-(butylthio)-N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}pyrimidine-4,6-diamine
CID 72863364
N-ethyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80829877
N-ethyl-2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80830347
2-Methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847012
N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847088
2-Methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine (CID 105061330) is 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCCC2CCNCC2)n1.
What is the InChIKey of 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is HLBPAWUEJPKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c12-9-7-10(13)16-11(15-9)17-6-3-8-1-4-14-5-2-8/h7-8,14H,1-6H2,(H4,12,13,15,16).
What are the key properties of 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 253.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 105061330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).