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

C16H11N7O — CID 11565927

IUPAC4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESc1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1
InChIInChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23)
InChIKeyDLVGZMIEBGCZOC-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.73
Rot. Bonds4

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

4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine (PubChem CID 11565927) has the molecular formula C16H11N7O and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine
PubChem CID11565927
Molecular FormulaC16H11N7O
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESc1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1
InChIInChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23)
InChIKeyDLVGZMIEBGCZOC-UHFFFAOYSA-N
XLogP2.73
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Las-38096
CID 11716665
Dipyridodiazepinone deriv. 39
CID 463559
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 25
CID 11426423
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
Roscovitine derivative 1
CID 73353575
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine (CID 11565927) is 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine is c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine?
The InChIKey is DLVGZMIEBGCZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23).
What are the key properties of 4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine?
4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine has a molecular weight of 317.31 g/mol, XLogP of 2.73, 4 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-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 11565927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).