[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C20H20FN5O2 — CID 112875500

IUPAC[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(Nc2cccc(F)c2)cc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H20FN5O2/c1-14-22-18(24-16-5-2-4-15(21)12-16)13-19(23-14)25-7-9-26(10-8-25)20(27)17-6-3-11-28-17/h2-6,11-13H,7-10H2,1H3,(H,22,23,24)
InChIKeyZWAXMCBJLQLPQH-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.22
Rot. Bonds4

About [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 112875500) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID112875500
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(Nc2cccc(F)c2)cc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H20FN5O2/c1-14-22-18(24-16-5-2-4-15(21)12-16)13-19(23-14)25-7-9-26(10-8-25)20(27)17-6-3-11-28-17/h2-6,11-13H,7-10H2,1H3,(H,22,23,24)
InChIKeyZWAXMCBJLQLPQH-UHFFFAOYSA-N
XLogP3.22
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262152
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 46267979
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
3-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193379
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 112875500) is [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1nc(Nc2cccc(F)c2)cc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZWAXMCBJLQLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-14-22-18(24-16-5-2-4-15(21)12-16)13-19(23-14)25-7-9-26(10-8-25)20(27)17-6-3-11-28-17/h2-6,11-13H,7-10H2,1H3,(H,22,23,24).
What are the key properties of [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 112875500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).