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

C23H25N5 — CID 44569106

IUPAC6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine
SMILESCCCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C23H25N5/c1-2-3-12-28(15-16-8-9-17-6-4-5-7-18(17)13-16)19-10-11-21-20(14-19)22(24)27-23(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H4,24,25,26,27)
InChIKeyXROWQZMGTMLPOY-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.75
Rot. Bonds6

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

6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine (PubChem CID 44569106) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine
PubChem CID44569106
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine
SMILESCCCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C23H25N5/c1-2-3-12-28(15-16-8-9-17-6-4-5-7-18(17)13-16)19-10-11-21-20(14-19)22(24)27-23(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H4,24,25,26,27)
InChIKeyXROWQZMGTMLPOY-UHFFFAOYSA-N
XLogP4.75
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
The IUPAC name of 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine (CID 44569106) is 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine is CCCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
The InChIKey is XROWQZMGTMLPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-2-3-12-28(15-16-8-9-17-6-4-5-7-18(17)13-16)19-10-11-21-20(14-19)22(24)27-23(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H4,24,25,26,27).
What are the key properties of 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine?
6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine has a molecular weight of 371.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-6-N-(naphthalen-2-ylmethyl)quinazoline-2,4,6-triamine is sourced from PubChem (CID 44569106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).