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

C13H23N3O3 — CID 82456727

IUPACN-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NC(C)(C)C)nc(COC)n1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)16-10-8-12(19-7-6-17-4)15-11(14-10)9-18-5/h8H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyQOZNYSWWCAYIRQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.86
Rot. Bonds7

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

N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82456727) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID82456727
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NC(C)(C)C)nc(COC)n1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)16-10-8-12(19-7-6-17-4)15-11(14-10)9-18-5/h8H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyQOZNYSWWCAYIRQ-UHFFFAOYSA-N
XLogP1.86
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.86
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

N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456699
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456733
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 102741196
[2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
CID 114471271
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine
CID 103408444

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine (CID 82456727) is N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine is COCCOc1cc(NC(C)(C)C)nc(COC)n1.
What is the InChIKey of N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is QOZNYSWWCAYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)16-10-8-12(19-7-6-17-4)15-11(14-10)9-18-5/h8H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine?
N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).