furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

C22H25N5O2 — CID 112863247

IUPACfuran-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)c1ccccc1Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ncn1
InChIInChI=1S/C22H25N5O2/c1-16(2)17-6-3-4-7-18(17)25-20-14-21(24-15-23-20)26-9-11-27(12-10-26)22(28)19-8-5-13-29-19/h3-8,13-16H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyLJXHMYAYKXPHPR-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.90
Rot. Bonds5

About furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 112863247) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID112863247
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Namefuran-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)c1ccccc1Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ncn1
InChIInChI=1S/C22H25N5O2/c1-16(2)17-6-3-4-7-18(17)25-20-14-21(24-15-23-20)26-9-11-27(12-10-26)22(28)19-8-5-13-29-19/h3-8,13-16H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyLJXHMYAYKXPHPR-UHFFFAOYSA-N
XLogP3.90
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345746
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112898656
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195071
furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone
CID 109353097
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 109353067
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 112863247) is furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is CC(C)c1ccccc1Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ncn1.
What is the InChIKey of furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is LJXHMYAYKXPHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)17-6-3-4-7-18(17)25-20-14-21(24-15-23-20)26-9-11-27(12-10-26)22(28)19-8-5-13-29-19/h3-8,13-16H,9-12H2,1-2H3,(H,23,24,25).
What are the key properties of furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112863247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).