furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

C20H21N5O3 — CID 112898656

IUPACfuran-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1Nc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H21N5O3/c1-27-16-6-3-2-5-15(16)22-20-21-9-8-18(23-20)24-10-12-25(13-11-24)19(26)17-7-4-14-28-17/h2-9,14H,10-13H2,1H3,(H,21,22,23)
InChIKeyQILRCGOEVYJFBR-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.78
Rot. Bonds5

About furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 112898656) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID112898656
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Namefuran-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1Nc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H21N5O3/c1-27-16-6-3-2-5-15(16)22-20-21-9-8-18(23-20)24-10-12-25(13-11-24)19(26)17-7-4-14-28-17/h2-9,14H,10-13H2,1H3,(H,21,22,23)
InChIKeyQILRCGOEVYJFBR-UHFFFAOYSA-N
XLogP2.78
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2-fluoroanilino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112898647
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
ethyl 4-[2-(2-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897936
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 112898656) is furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is COc1ccccc1Nc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is QILRCGOEVYJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-16-6-3-2-5-15(16)22-20-21-9-8-18(23-20)24-10-12-25(13-11-24)19(26)17-7-4-14-28-17/h2-9,14H,10-13H2,1H3,(H,21,22,23).
What are the key properties of furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112898656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).