6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine

C18H19N3 — CID 62203346

IUPAC6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H19N3/c1-18(2,3)15-11-16(19)21-17(20-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyARWMJTXMTGHKGS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.18
Rot. Bonds1

About 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine

6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 62203346) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
PubChem CID62203346
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H19N3/c1-18(2,3)15-11-16(19)21-17(20-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyARWMJTXMTGHKGS-UHFFFAOYSA-N
XLogP4.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine (CID 62203346) is 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine is CC(C)(C)c1cc(N)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is ARWMJTXMTGHKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(2,3)15-11-16(19)21-17(20-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine?
6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 62203346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).