6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine

C12H15N3O2 — CID 66326618

IUPAC6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccco2)c1C
InChIInChI=1S/C12H15N3O2/c1-3-16-12-9(2)11(14-8-15-12)13-7-10-5-4-6-17-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyXOPKBZNBACVVPH-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.39
Rot. Bonds5

About 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine

6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine (PubChem CID 66326618) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
PubChem CID66326618
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccco2)c1C
InChIInChI=1S/C12H15N3O2/c1-3-16-12-9(2)11(14-8-15-12)13-7-10-5-4-6-17-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyXOPKBZNBACVVPH-UHFFFAOYSA-N
XLogP2.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455871
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114128058
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine (CID 66326618) is 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine is CCOc1ncnc(NCc2ccco2)c1C.
What is the InChIKey of 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine?
The InChIKey is XOPKBZNBACVVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-16-12-9(2)11(14-8-15-12)13-7-10-5-4-6-17-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine?
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66326618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).