2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine

C26H28N4 — CID 19939147

IUPAC2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
SMILESCC(Cc1ccccc1)Nc1nc(NC(C)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H28N4/c1-19(17-21-11-5-3-6-12-21)27-25-23-15-9-10-16-24(23)29-26(30-25)28-20(2)18-22-13-7-4-8-14-22/h3-16,19-20H,17-18H2,1-2H3,(H2,27,28,29,30)
InChIKeyWOPPQGAXDOZAGE-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.72
Rot. Bonds8

About 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine

2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine (PubChem CID 19939147) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
PubChem CID19939147
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
SMILESCC(Cc1ccccc1)Nc1nc(NC(C)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H28N4/c1-19(17-21-11-5-3-6-12-21)27-25-23-15-9-10-16-24(23)29-26(30-25)28-20(2)18-22-13-7-4-8-14-22/h3-16,19-20H,17-18H2,1-2H3,(H2,27,28,29,30)
InChIKeyWOPPQGAXDOZAGE-UHFFFAOYSA-N
XLogP5.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine (CID 19939147) is 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine is CC(Cc1ccccc1)Nc1nc(NC(C)Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine?
The InChIKey is WOPPQGAXDOZAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-19(17-21-11-5-3-6-12-21)27-25-23-15-9-10-16-24(23)29-26(30-25)28-20(2)18-22-13-7-4-8-14-22/h3-16,19-20H,17-18H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine?
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine has a molecular weight of 396.54 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 19939147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).