N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine

C13H22N4S — CID 143206634

IUPACN-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCCN1CCC(Nc2ncnc(SC)c2C)CC1
InChIInChI=1S/C13H22N4S/c1-4-17-7-5-11(6-8-17)16-12-10(2)13(18-3)15-9-14-12/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLBKDLWRRXUBFLG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.40
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine

N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 143206634) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID143206634
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCCN1CCC(Nc2ncnc(SC)c2C)CC1
InChIInChI=1S/C13H22N4S/c1-4-17-7-5-11(6-8-17)16-12-10(2)13(18-3)15-9-14-12/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLBKDLWRRXUBFLG-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine (CID 143206634) is N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine is CCN1CCC(Nc2ncnc(SC)c2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is LBKDLWRRXUBFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-17-7-5-11(6-8-17)16-12-10(2)13(18-3)15-9-14-12/h9,11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine?
N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-5-methyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 143206634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).