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

C16H23N3O3 — CID 82456929

IUPAC2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccco2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)15-18-13(17-11-12-6-5-7-21-12)10-14(19-15)22-9-8-20-4/h5-7,10H,8-9,11H2,1-4H3,(H,17,18,19)
InChIKeyLETGTGUGSATDTJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.00
Rot. Bonds7

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

2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine (PubChem CID 82456929) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
PubChem CID82456929
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccco2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)15-18-13(17-11-12-6-5-7-21-12)10-14(19-15)22-9-8-20-4/h5-7,10H,8-9,11H2,1-4H3,(H,17,18,19)
InChIKeyLETGTGUGSATDTJ-UHFFFAOYSA-N
XLogP3.00
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.00
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-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456733
2-ethyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82454475
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458125
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 82456516
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
CID 82458716
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine (CID 82456929) is 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine is COCCOc1cc(NCc2ccco2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine?
The InChIKey is LETGTGUGSATDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)15-18-13(17-11-12-6-5-7-21-12)10-14(19-15)22-9-8-20-4/h5-7,10H,8-9,11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine?
2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine is sourced from PubChem (CID 82456929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).