4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile

C52H36N20O3 — CID 157068752

IUPAC4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1.N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1.c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1
InChIInChI=1S/C18H11N7O.C18H14N6O.C16H11N7O/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;1-12-4-5-13(9-20-12)23-18-21-10-14(15-6-7-19-11-22-15)17(24-18)16-3-2-8-25-16;1-2-13(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/h1-6,8-11H,(H,22,24,25);2-11H,1H3,(H,21,23,24);1-10H,(H,19,20,22,23)
InChIKeyACEKPTOIBZFQLJ-UHFFFAOYSA-N
MW989.00 g/mol
LogP9.57
Rot. Bonds12

About 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile

4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 157068752) has the molecular formula C52H36N20O3 and a molecular weight of 989.00 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile
PubChem CID157068752
Molecular FormulaC52H36N20O3
Molecular Weight989.00 g/mol
Exact Mass988.33
IUPAC Name4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1.N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1.c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1
InChIInChI=1S/C18H11N7O.C18H14N6O.C16H11N7O/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;1-12-4-5-13(9-20-12)23-18-21-10-14(15-6-7-19-11-22-15)17(24-18)16-3-2-8-25-16;1-2-13(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/h1-6,8-11H,(H,22,24,25);2-11H,1H3,(H,21,23,24);1-10H,(H,19,20,22,23)
InChIKeyACEKPTOIBZFQLJ-UHFFFAOYSA-N
XLogP9.57
TPSA305.54 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.00
LogP ≤ 59.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

Las-38096
CID 11716665
Roscovitine derivative 1
CID 73353575
5-{[4''-(2-Furyl)-4,5''-bipyrimidin-2''-yl]amino}nicotinonitrile
CID 11537425
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696
4''-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5''-bipyrimidin-2''-amine
CID 11667107
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 11952559
5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 11953248
N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 44531688
(4-Benzyloxy-phenyl)-(6-(5-(pyridin-3-ylaminomethyl)-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine
CID 44531689

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile (CID 157068752) is 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile is Cc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1.N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1.c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is ACEKPTOIBZFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7O.C18H14N6O.C16H11N7O/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;1-12-4-5-13(9-20-12)23-18-21-10-14(15-6-7-19-11-22-15)17(24-18)16-3-2-8-25-16;1-2-13(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/h1-6,8-11H,(H,22,24,25);2-11H,1H3,(H,21,23,24);1-10H,(H,19,20,22,23).
What are the key properties of 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile?
4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 989.00 g/mol, XLogP of 9.57, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(6-methyl-3-pyridinyl)-5-pyrimidin-4-ylpyrimidin-2-amine;4-(furan-2-yl)-N-pyrazin-2-yl-5-pyrimidin-4-ylpyrimidin-2-amine;5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 157068752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).