5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C25H27N5O — CID 25007431

IUPAC5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4cccc5ccccc45)CC3)cccc2n1
InChIInChI=1S/C25H27N5O/c26-24-23-21(28-25(27)29-24)9-4-10-22(23)31-16-17-11-13-30(14-12-17)15-19-7-3-6-18-5-1-2-8-20(18)19/h1-10,17H,11-16H2,(H4,26,27,28,29)
InChIKeyJJSKDCZBZWCANM-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.24
Rot. Bonds5

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

5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 25007431) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID25007431
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(Cc4cccc5ccccc45)CC3)cccc2n1
InChIInChI=1S/C25H27N5O/c26-24-23-21(28-25(27)29-24)9-4-10-22(23)31-16-17-11-13-30(14-12-17)15-19-7-3-6-18-5-1-2-8-20(18)19/h1-10,17H,11-16H2,(H4,26,27,28,29)
InChIKeyJJSKDCZBZWCANM-UHFFFAOYSA-N
XLogP4.24
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 25007431) is 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(Cc4cccc5ccccc45)CC3)cccc2n1.
What is the InChIKey of 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is JJSKDCZBZWCANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-24-23-21(28-25(27)29-24)9-4-10-22(23)31-16-17-11-13-30(14-12-17)15-19-7-3-6-18-5-1-2-8-20(18)19/h1-10,17H,11-16H2,(H4,26,27,28,29).
What are the key properties of 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 413.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 25007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).