6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine

C14H20N4O2 — CID 82455871

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
SMILESCCOc1nc(C(C)C)nc(NCc2ccco2)c1N
InChIInChI=1S/C14H20N4O2/c1-4-19-14-11(15)13(17-12(18-14)9(2)3)16-8-10-6-5-7-20-10/h5-7,9H,4,8,15H2,1-3H3,(H,16,17,18)
InChIKeyOYVAVFXQOXFMGN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.79
Rot. Bonds6

About 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine

6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82455871) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82455871
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
SMILESCCOc1nc(C(C)C)nc(NCc2ccco2)c1N
InChIInChI=1S/C14H20N4O2/c1-4-19-14-11(15)13(17-12(18-14)9(2)3)16-8-10-6-5-7-20-10/h5-7,9H,4,8,15H2,1-3H3,(H,16,17,18)
InChIKeyOYVAVFXQOXFMGN-UHFFFAOYSA-N
XLogP2.79
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458649
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
CID 82458716
6-(furan-2-ylmethoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80989526
6-chloro-N-(furan-2-ylmethyl)-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458984
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine (CID 82455871) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine is CCOc1nc(C(C)C)nc(NCc2ccco2)c1N.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is OYVAVFXQOXFMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-19-14-11(15)13(17-12(18-14)9(2)3)16-8-10-6-5-7-20-10/h5-7,9H,4,8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 276.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).