4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine

C17H13N7O2 — CID 16720105

IUPAC4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESCOc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1
InChIInChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24)
InChIKeyONXHHAADYYTDKN-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.74
Rot. Bonds5

About 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine

4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine (PubChem CID 16720105) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine
PubChem CID16720105
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESCOc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1
InChIInChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24)
InChIKeyONXHHAADYYTDKN-UHFFFAOYSA-N
XLogP2.74
TPSA111.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine (CID 16720105) is 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine is COc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1.
What is the InChIKey of 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine?
The InChIKey is ONXHHAADYYTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24).
What are the key properties of 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine?
4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine has a molecular weight of 347.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 16720105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).