1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine

C17H22N4 — CID 80505450

IUPAC1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
SMILESNC(CCNc1ncnc2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H22N4/c18-15(13-6-2-1-3-7-13)10-11-19-17-14-8-4-5-9-16(14)20-12-21-17/h1-3,6-7,12,15H,4-5,8-11,18H2,(H,19,20,21)
InChIKeySBWTYZGGVKMEEV-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.86
Rot. Bonds5

About 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine

1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine (PubChem CID 80505450) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
PubChem CID80505450
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
SMILESNC(CCNc1ncnc2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H22N4/c18-15(13-6-2-1-3-7-13)10-11-19-17-14-8-4-5-9-16(14)20-12-21-17/h1-3,6-7,12,15H,4-5,8-11,18H2,(H,19,20,21)
InChIKeySBWTYZGGVKMEEV-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine?
The IUPAC name of 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine (CID 80505450) is 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine?
The canonical SMILES for 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine is NC(CCNc1ncnc2c1CCCC2)c1ccccc1.
What is the InChIKey of 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine?
The InChIKey is SBWTYZGGVKMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-15(13-6-2-1-3-7-13)10-11-19-17-14-8-4-5-9-16(14)20-12-21-17/h1-3,6-7,12,15H,4-5,8-11,18H2,(H,19,20,21).
What are the key properties of 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine?
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 80505450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).