[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone

C21H26FN5O — CID 153365871

IUPAC[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESNc1nc(Nc2ccc(F)cc2)ncc1C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H26FN5O/c22-16-5-7-17(8-6-16)25-21-24-13-18(19(23)26-21)14-9-11-27(12-10-14)20(28)15-3-1-2-4-15/h5-8,13-15H,1-4,9-12H2,(H3,23,24,25,26)
InChIKeyJKUISTPOJMQRQS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.84
Rot. Bonds4

About [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone

[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 153365871) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID153365871
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESNc1nc(Nc2ccc(F)cc2)ncc1C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H26FN5O/c22-16-5-7-17(8-6-16)25-21-24-13-18(19(23)26-21)14-9-11-27(12-10-14)20(28)15-3-1-2-4-15/h5-8,13-15H,1-4,9-12H2,(H3,23,24,25,26)
InChIKeyJKUISTPOJMQRQS-UHFFFAOYSA-N
XLogP3.84
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone 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

cyclohexyl-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53140033
4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365816
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 167266688
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 145287637
[4-[[2-(4-fluoroanilino)-5-(1-methylpiperidin-4-yl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 153365838
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone (CID 153365871) is [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone is Nc1nc(Nc2ccc(F)cc2)ncc1C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is JKUISTPOJMQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c22-16-5-7-17(8-6-16)25-21-24-13-18(19(23)26-21)14-9-11-27(12-10-14)20(28)15-3-1-2-4-15/h5-8,13-15H,1-4,9-12H2,(H3,23,24,25,26).
What are the key properties of [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone?
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 383.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 153365871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).