2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C16H27N3O3 — CID 82456935

IUPAC2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCC2CCCO2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)15-18-13(17-11-12-6-5-7-21-12)10-14(19-15)22-9-8-20-4/h10,12H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyGMIYWJXBHIUIKV-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.39
Rot. Bonds7

About 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82456935) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID82456935
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCC2CCCO2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)15-18-13(17-11-12-6-5-7-21-12)10-14(19-15)22-9-8-20-4/h10,12H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyGMIYWJXBHIUIKV-UHFFFAOYSA-N
XLogP2.39
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82458758
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456929
2-cyclopropyl-6-(2-methoxyethoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456345

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 82456935) is 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is COCCOc1cc(NCC2CCCO2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is GMIYWJXBHIUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-16(2,3)15-18-13(17-11-12-6-5-7-21-12)10-14(19-15)22-9-8-20-4/h10,12H,5-9,11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 309.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).