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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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133462019
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133400520
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412053
2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133404847
2-tert-butyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133401655
2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133401633
[(1S,4R)-4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 133402823
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597

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).