4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine

C18H14N6O2 — CID 11638790

IUPAC4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1
InChIInChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)
InChIKeyKFVNLZHVGOLGOY-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.34
Rot. Bonds5

About 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine

4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine (PubChem CID 11638790) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine
PubChem CID11638790
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1
InChIInChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)
InChIKeyKFVNLZHVGOLGOY-UHFFFAOYSA-N
XLogP3.34
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine (CID 11638790) is 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine is COc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1.
What is the InChIKey of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine?
The InChIKey is KFVNLZHVGOLGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24).
What are the key properties of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine?
4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine has a molecular weight of 346.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 11638790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).