4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine

C21H13N5OS — CID 141164900

IUPAC4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine
SMILESc1ccc(-c2nc(-c3cccs3)nc(-c3ccco3)c2-c2cnccn2)nc1
InChIInChI=1S/C21H13N5OS/c1-2-8-23-14(5-1)19-18(15-13-22-9-10-24-15)20(16-6-3-11-27-16)26-21(25-19)17-7-4-12-28-17/h1-13H
InChIKeyNMMIRRGCXISAKK-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.98
Rot. Bonds4

About 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine

4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine (PubChem CID 141164900) has the molecular formula C21H13N5OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine
PubChem CID141164900
Molecular FormulaC21H13N5OS
Molecular Weight383.44 g/mol
Exact Mass383.08
IUPAC Name4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine
SMILESc1ccc(-c2nc(-c3cccs3)nc(-c3ccco3)c2-c2cnccn2)nc1
InChIInChI=1S/C21H13N5OS/c1-2-8-23-14(5-1)19-18(15-13-22-9-10-24-15)20(16-6-3-11-27-16)26-21(25-19)17-7-4-12-28-17/h1-13H
InChIKeyNMMIRRGCXISAKK-UHFFFAOYSA-N
XLogP4.98
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Las-38096
CID 11716665
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
4-(1-Benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10785771
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-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
4-(Furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071
4-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine
CID 16720105
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-thiophen-2-yl-pyrimidine
CID 44289462

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine (CID 141164900) is 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine is c1ccc(-c2nc(-c3cccs3)nc(-c3ccco3)c2-c2cnccn2)nc1.
What is the InChIKey of 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine?
The InChIKey is NMMIRRGCXISAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5OS/c1-2-8-23-14(5-1)19-18(15-13-22-9-10-24-15)20(16-6-3-11-27-16)26-21(25-19)17-7-4-12-28-17/h1-13H.
What are the key properties of 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine?
4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine has a molecular weight of 383.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 141164900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).