2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine

C21H25N5 — CID 122187401

IUPAC2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H25N5/c1-15(2)16-7-9-17(10-8-16)23-20-18-5-3-4-6-19(18)24-21(25-20)26-13-11-22-12-14-26/h3-10,15,22H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyUVXRGQNZIJPPOS-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.91
Rot. Bonds4

About 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine

2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine (PubChem CID 122187401) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine
PubChem CID122187401
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H25N5/c1-15(2)16-7-9-17(10-8-16)23-20-18-5-3-4-6-19(18)24-21(25-20)26-13-11-22-12-14-26/h3-10,15,22H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyUVXRGQNZIJPPOS-UHFFFAOYSA-N
XLogP3.91
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.91
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-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine (CID 122187401) is 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine is CC(C)c1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1.
What is the InChIKey of 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The InChIKey is UVXRGQNZIJPPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15(2)16-7-9-17(10-8-16)23-20-18-5-3-4-6-19(18)24-21(25-20)26-13-11-22-12-14-26/h3-10,15,22H,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 122187401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).