5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile

C18H11N7O — CID 11537425

IUPAC5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1
InChIInChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
InChIKeyNXCTZWROGMLVKP-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.20
Rot. Bonds4

About 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile

5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 11537425) has the molecular formula C18H11N7O and a molecular weight of 341.33 g/mol. Its IUPAC name is 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile
PubChem CID11537425
Molecular FormulaC18H11N7O
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC Name5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1
InChIInChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
InChIKeyNXCTZWROGMLVKP-UHFFFAOYSA-N
XLogP3.20
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 25
CID 11426423
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
Roscovitine derivative 1
CID 73353575
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202249
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
Pyrimidine-4-carboxamide, 28
CID 44520987

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile (CID 11537425) is 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile is N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1.
What is the InChIKey of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is NXCTZWROGMLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25).
What are the key properties of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 341.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11537425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).