1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol

C19H26FN5O — CID 139003399

IUPAC1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
SMILESCC(Nc1ccnc(N(C)C)n1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H26FN5O/c1-13(22-18-6-9-21-19(23-18)24(2)3)16-12-14(20)4-5-17(16)25-10-7-15(26)8-11-25/h4-6,9,12-13,15,26H,7-8,10-11H2,1-3H3,(H,21,22,23)
InChIKeyYQWGGZBGKQMSFG-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol

1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol (PubChem CID 139003399) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
PubChem CID139003399
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
SMILESCC(Nc1ccnc(N(C)C)n1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H26FN5O/c1-13(22-18-6-9-21-19(23-18)24(2)3)16-12-14(20)4-5-17(16)25-10-7-15(26)8-11-25/h4-6,9,12-13,15,26H,7-8,10-11H2,1-3H3,(H,21,22,23)
InChIKeyYQWGGZBGKQMSFG-UHFFFAOYSA-N
XLogP2.82
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol (CID 139003399) is 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol is CC(Nc1ccnc(N(C)C)n1)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The InChIKey is YQWGGZBGKQMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-13(22-18-6-9-21-19(23-18)24(2)3)16-12-14(20)4-5-17(16)25-10-7-15(26)8-11-25/h4-6,9,12-13,15,26H,7-8,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol has a molecular weight of 359.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol is sourced from PubChem (CID 139003399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).