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

C14H13N3O2 — CID 3234243

IUPAC6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1cc(-c2ccoc2)ncn1
InChIInChI=1S/C14H13N3O2/c1-17(8-12-3-2-5-19-12)14-7-13(15-10-16-14)11-4-6-18-9-11/h2-7,9-10H,8H2,1H3
InChIKeyKZHIUGGNTASZHY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.97
Rot. Bonds4

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

6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 3234243) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID3234243
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1cc(-c2ccoc2)ncn1
InChIInChI=1S/C14H13N3O2/c1-17(8-12-3-2-5-19-12)14-7-13(15-10-16-14)11-4-6-18-9-11/h2-7,9-10H,8H2,1H3
InChIKeyKZHIUGGNTASZHY-UHFFFAOYSA-N
XLogP2.97
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 3234243) is 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccco1)c1cc(-c2ccoc2)ncn1.
What is the InChIKey of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is KZHIUGGNTASZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17(8-12-3-2-5-19-12)14-7-13(15-10-16-14)11-4-6-18-9-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3234243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).