2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine

C12H19N5 — CID 12602897

IUPAC2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(N2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C12H19N5/c13-11-9-3-1-2-4-10(9)15-12(16-11)17-7-5-14-6-8-17/h14H,1-8H2,(H2,13,15,16)
InChIKeyHXBNKGHRFDXJIC-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.35
Rot. Bonds1

About 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine

2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 12602897) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID12602897
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(N2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C12H19N5/c13-11-9-3-1-2-4-10(9)15-12(16-11)17-7-5-14-6-8-17/h14H,1-8H2,(H2,13,15,16)
InChIKeyHXBNKGHRFDXJIC-UHFFFAOYSA-N
XLogP0.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 12602897) is 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(N2CCNCC2)nc2c1CCCC2.
What is the InChIKey of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HXBNKGHRFDXJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11-9-3-1-2-4-10(9)15-12(16-11)17-7-5-14-6-8-17/h14H,1-8H2,(H2,13,15,16).
What are the key properties of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 12602897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).