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

C17H29N3O2 — CID 82456917

IUPAC6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCC2CCCO2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O2/c1-5-6-9-22-15-11-14(18-12-13-8-7-10-21-13)19-16(20-15)17(2,3)4/h11,13H,5-10,12H2,1-4H3,(H,18,19,20)
InChIKeyCAYICEGZTKADNS-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.54
Rot. Bonds7

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

6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82456917) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID82456917
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCC2CCCO2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O2/c1-5-6-9-22-15-11-14(18-12-13-8-7-10-21-13)19-16(20-15)17(2,3)4/h11,13H,5-10,12H2,1-4H3,(H,18,19,20)
InChIKeyCAYICEGZTKADNS-UHFFFAOYSA-N
XLogP3.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456935
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
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82458758
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 82456917) is 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCCCOc1cc(NCC2CCCO2)nc(C(C)(C)C)n1.
What is the InChIKey of 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is CAYICEGZTKADNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-6-9-22-15-11-14(18-12-13-8-7-10-21-13)19-16(20-15)17(2,3)4/h11,13H,5-10,12H2,1-4H3,(H,18,19,20).
What are the key properties of 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).