6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine

C22H23N5 — CID 25132198

IUPAC6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine
SMILESCCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C22H23N5/c1-2-11-27(14-15-7-8-16-5-3-4-6-17(16)12-15)18-9-10-20-19(13-18)21(23)26-22(24)25-20/h3-10,12-13H,2,11,14H2,1H3,(H4,23,24,25,26)
InChIKeyKRNZWFKAPBBIRZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.36
Rot. Bonds5

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

6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine (PubChem CID 25132198) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine
PubChem CID25132198
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine
SMILESCCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C22H23N5/c1-2-11-27(14-15-7-8-16-5-3-4-6-17(16)12-15)18-9-10-20-19(13-18)21(23)26-22(24)25-20/h3-10,12-13H,2,11,14H2,1H3,(H4,23,24,25,26)
InChIKeyKRNZWFKAPBBIRZ-UHFFFAOYSA-N
XLogP4.36
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine?
The IUPAC name of 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine (CID 25132198) is 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine is CCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine?
The InChIKey is KRNZWFKAPBBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-11-27(14-15-7-8-16-5-3-4-6-17(16)12-15)18-9-10-20-19(13-18)21(23)26-22(24)25-20/h3-10,12-13H,2,11,14H2,1H3,(H4,23,24,25,26).
What are the key properties of 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine?
6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine has a molecular weight of 357.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(naphthalen-2-ylmethyl)-6-N-propylquinazoline-2,4,6-triamine is sourced from PubChem (CID 25132198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).