N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine

C12H20N4S — CID 106972968

IUPACN-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NN2C(C)CCCC2C)ncn1
InChIInChI=1S/C12H20N4S/c1-9-5-4-6-10(2)16(9)15-11-7-12(17-3)14-8-13-11/h7-10H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKDDSYMCGSJTVIU-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.79
Rot. Bonds3

About N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine

N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972968) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972968
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NN2C(C)CCCC2C)ncn1
InChIInChI=1S/C12H20N4S/c1-9-5-4-6-10(2)16(9)15-11-7-12(17-3)14-8-13-11/h7-10H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKDDSYMCGSJTVIU-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine (CID 106972968) is N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NN2C(C)CCCC2C)ncn1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is KDDSYMCGSJTVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-5-4-6-10(2)16(9)15-11-7-12(17-3)14-8-13-11/h7-10H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine?
N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).