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

C22H25N5O2 — CID 112898704

IUPACfuran-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)c1ccc(Nc2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-16(2)17-5-7-18(8-6-17)24-20-9-10-23-22(25-20)27-13-11-26(12-14-27)21(28)19-4-3-15-29-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyMSURYIPGWPPWJQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.90
Rot. Bonds5

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

furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 112898704) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID112898704
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Namefuran-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)c1ccc(Nc2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-16(2)17-5-7-18(8-6-17)24-20-9-10-23-22(25-20)27-13-11-26(12-14-27)21(28)19-4-3-15-29-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyMSURYIPGWPPWJQ-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-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898734
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845
[4-[5-(4-fluoroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957824
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109310503
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 112898704) is furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone is CC(C)c1ccc(Nc2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is MSURYIPGWPPWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)17-5-7-18(8-6-17)24-20-9-10-23-22(25-20)27-13-11-26(12-14-27)21(28)19-4-3-15-29-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-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-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112898704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).