5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C21H24FN5O — CID 23729147

IUPAC5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
InChIKeyGYKIQIOWVKCVBP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.22
Rot. Bonds5

About 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 23729147) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID23729147
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
InChIKeyGYKIQIOWVKCVBP-UHFFFAOYSA-N
XLogP3.22
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine 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 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 23729147) is 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1.
What is the InChIKey of 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is GYKIQIOWVKCVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26).
What are the key properties of 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 381.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 23729147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).