7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine

C16H23N5 — CID 71603137

IUPAC7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine
SMILESCC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1
InChIInChI=1S/C16H23N5/c1-16(2,3)11-4-5-12-13(10-11)19-15(17)20-14(12)21-8-6-18-7-9-21/h4-5,10,18H,6-9H2,1-3H3,(H2,17,19,20)
InChIKeyDZIKZBZBMFPKFM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.92
Rot. Bonds1

About 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine

7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine (PubChem CID 71603137) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine
PubChem CID71603137
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine
SMILESCC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1
InChIInChI=1S/C16H23N5/c1-16(2,3)11-4-5-12-13(10-11)19-15(17)20-14(12)21-8-6-18-7-9-21/h4-5,10,18H,6-9H2,1-3H3,(H2,17,19,20)
InChIKeyDZIKZBZBMFPKFM-UHFFFAOYSA-N
XLogP1.92
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?
The IUPAC name of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine (CID 71603137) is 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine.
What is the SMILES notation for 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?
The canonical SMILES for 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine is CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1.
What is the InChIKey of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?
The InChIKey is DZIKZBZBMFPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2,3)11-4-5-12-13(10-11)19-15(17)20-14(12)21-8-6-18-7-9-21/h4-5,10,18H,6-9H2,1-3H3,(H2,17,19,20).
What are the key properties of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?
7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine is sourced from PubChem (CID 71603137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).