6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine

C21H21N5 — CID 25132196

IUPAC6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine
SMILESCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)
InChIKeySXZPDRHCLNZYOT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.97
Rot. Bonds4

About 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine

6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine (PubChem CID 25132196) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine
PubChem CID25132196
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine
SMILESCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)
InChIKeySXZPDRHCLNZYOT-UHFFFAOYSA-N
XLogP3.97
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine (CID 25132196) is 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine is CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
The InChIKey is SXZPDRHCLNZYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25).
What are the key properties of 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine has a molecular weight of 343.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine is sourced from PubChem (CID 25132196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).