2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

C17H27N3O2 — CID 133390554

IUPAC2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCC2=CCOCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)16-19-14(12-21-4)11-15(20-16)18-8-5-13-6-9-22-10-7-13/h6,11H,5,7-10,12H2,1-4H3,(H,18,19,20)
InChIKeyRVZANGGDCDOKIQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.07
Rot. Bonds6

About 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133390554) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133390554
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCC2=CCOCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)16-19-14(12-21-4)11-15(20-16)18-8-5-13-6-9-22-10-7-13/h6,11H,5,7-10,12H2,1-4H3,(H,18,19,20)
InChIKeyRVZANGGDCDOKIQ-UHFFFAOYSA-N
XLogP3.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133390554) is 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCCC2=CCOCC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is RVZANGGDCDOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)16-19-14(12-21-4)11-15(20-16)18-8-5-13-6-9-22-10-7-13/h6,11H,5,7-10,12H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133390554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).