6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

C12H16N4O — CID 45196662

IUPAC6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1cc(CCN)ncn1
InChIInChI=1S/C12H16N4O/c1-16(7-10-3-5-17-8-10)12-6-11(2-4-13)14-9-15-12/h3,5-6,8-9H,2,4,7,13H2,1H3
InChIKeyZKQFRNNQMQACSY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.21
Rot. Bonds5

About 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 45196662) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID45196662
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1cc(CCN)ncn1
InChIInChI=1S/C12H16N4O/c1-16(7-10-3-5-17-8-10)12-6-11(2-4-13)14-9-15-12/h3,5-6,8-9H,2,4,7,13H2,1H3
InChIKeyZKQFRNNQMQACSY-UHFFFAOYSA-N
XLogP1.21
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (CID 45196662) is 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccoc1)c1cc(CCN)ncn1.
What is the InChIKey of 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is ZKQFRNNQMQACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(7-10-3-5-17-8-10)12-6-11(2-4-13)14-9-15-12/h3,5-6,8-9H,2,4,7,13H2,1H3.
What are the key properties of 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 45196662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).