2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine

C15H26N4O — CID 80987561

IUPAC2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CCOCC1(C)C
InChIInChI=1S/C15H26N4O/c1-10-11(16)17-13(14(2,3)4)18-12(10)19-7-8-20-9-15(19,5)6/h7-9H2,1-6H3,(H2,16,17,18)
InChIKeyCAZMSISMDFTIBX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds1

About 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine (PubChem CID 80987561) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
PubChem CID80987561
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CCOCC1(C)C
InChIInChI=1S/C15H26N4O/c1-10-11(16)17-13(14(2,3)4)18-12(10)19-7-8-20-9-15(19,5)6/h7-9H2,1-6H3,(H2,16,17,18)
InChIKeyCAZMSISMDFTIBX-UHFFFAOYSA-N
XLogP2.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
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-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine (CID 80987561) is 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1N1CCOCC1(C)C.
What is the InChIKey of 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine?
The InChIKey is CAZMSISMDFTIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-11(16)17-13(14(2,3)4)18-12(10)19-7-8-20-9-15(19,5)6/h7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80987561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).