5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C14H16N4 — CID 123411248

IUPAC5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCCC2c1ccccc1
InChIInChI=1S/C14H16N4/c15-13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)17-14(16)18-13/h1-3,5-6,10H,4,7-8H2,(H4,15,16,17,18)
InChIKeyHHZDUALHPYWIQH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.11
Rot. Bonds1

About 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 123411248) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID123411248
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCCC2c1ccccc1
InChIInChI=1S/C14H16N4/c15-13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)17-14(16)18-13/h1-3,5-6,10H,4,7-8H2,(H4,15,16,17,18)
InChIKeyHHZDUALHPYWIQH-UHFFFAOYSA-N
XLogP2.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 123411248) is 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is Nc1nc(N)c2c(n1)CCCC2c1ccccc1.
What is the InChIKey of 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is HHZDUALHPYWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)17-14(16)18-13/h1-3,5-6,10H,4,7-8H2,(H4,15,16,17,18).
What are the key properties of 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 123411248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).