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

C22H24F3N5O — CID 67302380

IUPAC5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4ccccc4C(F)(F)F)CC3)cccc2n1
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)16-5-2-1-4-15(16)12-30-10-8-14(9-11-30)13-31-18-7-3-6-17-19(18)20(26)29-21(27)28-17/h1-7,14H,8-13H2,(H4,26,27,28,29)
InChIKeyORIVIRFUCCEGFI-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.10
Rot. Bonds5

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

5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 67302380) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID67302380
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4ccccc4C(F)(F)F)CC3)cccc2n1
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)16-5-2-1-4-15(16)12-30-10-8-14(9-11-30)13-31-18-7-3-6-17-19(18)20(26)29-21(27)28-17/h1-7,14H,8-13H2,(H4,26,27,28,29)
InChIKeyORIVIRFUCCEGFI-UHFFFAOYSA-N
XLogP4.10
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 67302380) is 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4C(F)(F)F)CC3)cccc2n1.
What is the InChIKey of 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is ORIVIRFUCCEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c23-22(24,25)16-5-2-1-4-15(16)12-30-10-8-14(9-11-30)13-31-18-7-3-6-17-19(18)20(26)29-21(27)28-17/h1-7,14H,8-13H2,(H4,26,27,28,29).
What are the key properties of 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 431.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 67302380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).