6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine

C18H20ClN5 — CID 90680240

IUPAC6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine
SMILESCC(C)N(Cc1ccc(Cl)cc1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C18H20ClN5/c1-11(2)24(10-12-3-5-13(19)6-4-12)14-7-8-16-15(9-14)17(20)23-18(21)22-16/h3-9,11H,10H2,1-2H3,(H4,20,21,22,23)
InChIKeyJSYAVBKCELIZEZ-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.86
Rot. Bonds4

About 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine

6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine (PubChem CID 90680240) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine
PubChem CID90680240
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine
SMILESCC(C)N(Cc1ccc(Cl)cc1)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C18H20ClN5/c1-11(2)24(10-12-3-5-13(19)6-4-12)14-7-8-16-15(9-14)17(20)23-18(21)22-16/h3-9,11H,10H2,1-2H3,(H4,20,21,22,23)
InChIKeyJSYAVBKCELIZEZ-UHFFFAOYSA-N
XLogP3.86
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine?
The IUPAC name of 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine (CID 90680240) is 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine is CC(C)N(Cc1ccc(Cl)cc1)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine?
The InChIKey is JSYAVBKCELIZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-11(2)24(10-12-3-5-13(19)6-4-12)14-7-8-16-15(9-14)17(20)23-18(21)22-16/h3-9,11H,10H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine?
6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine has a molecular weight of 341.85 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-chlorophenyl)methyl]-6-N-propan-2-ylquinazoline-2,4,6-triamine is sourced from PubChem (CID 90680240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).