N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

C17H24N4S — CID 133294320

IUPACN-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCCSC(C)(C)C)nc(-c2ccncc2)n1
InChIInChI=1S/C17H24N4S/c1-5-14-12-15(19-10-11-22-17(2,3)4)21-16(20-14)13-6-8-18-9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,21)
InChIKeySLSWLGHJXNWKFL-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.04
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133294320) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133294320
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC NameN-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCCSC(C)(C)C)nc(-c2ccncc2)n1
InChIInChI=1S/C17H24N4S/c1-5-14-12-15(19-10-11-22-17(2,3)4)21-16(20-14)13-6-8-18-9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,21)
InChIKeySLSWLGHJXNWKFL-UHFFFAOYSA-N
XLogP4.04
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 133294320) is N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NCCSC(C)(C)C)nc(-c2ccncc2)n1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is SLSWLGHJXNWKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-5-14-12-15(19-10-11-22-17(2,3)4)21-16(20-14)13-6-8-18-9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,21).
What are the key properties of N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 316.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133294320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).