2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine

C15H28N4S — CID 80995478

IUPAC2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
SMILESCCN(CC)CCSc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C15H28N4S/c1-7-19(8-2)9-10-20-13-11(3)12(16)17-14(18-13)15(4,5)6/h7-10H2,1-6H3,(H2,16,17,18)
InChIKeyORCSTFQZADHGDD-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.10
Rot. Bonds6

About 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine

2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine (PubChem CID 80995478) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
PubChem CID80995478
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
SMILESCCN(CC)CCSc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C15H28N4S/c1-7-19(8-2)9-10-20-13-11(3)12(16)17-14(18-13)15(4,5)6/h7-10H2,1-6H3,(H2,16,17,18)
InChIKeyORCSTFQZADHGDD-UHFFFAOYSA-N
XLogP3.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine (CID 80995478) is 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine is CCN(CC)CCSc1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine?
The InChIKey is ORCSTFQZADHGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-7-19(8-2)9-10-20-13-11(3)12(16)17-14(18-13)15(4,5)6/h7-10H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine?
2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine has a molecular weight of 296.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80995478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).