4-Aminoquinazoline

C8H7N3 — CID 84759

IUPACquinazolin-4-amine
SMILESC1=CC=C2C(=C1)C(=NC=N2)N
InChIInChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
InChIKeyDRYRBWIFRVMRPV-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.30
Rot. Bonds

About 4-Aminoquinazoline

4-Aminoquinazoline (PubChem CID 84759) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is quinazolin-4-amine.

Molecular Properties

Compound Name4-Aminoquinazoline
PubChem CID84759
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namequinazolin-4-amine
SMILESC1=CC=C2C(=C1)C(=NC=N2)N
InChIInChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
InChIKeyDRYRBWIFRVMRPV-UHFFFAOYSA-N
XLogP1.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity137

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminoquinoline
CID 11379
Quinazoline
CID 9210
6-Aminoquinazoline
CID 589288
Spautin-1
CID 51037431
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Phenylpyrimidine
CID 18923
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
2-Amino-4-phenylpyrimidine
CID 598777
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042

Frequently Asked Questions

What is the IUPAC name of 4-Aminoquinazoline?
The IUPAC name of 4-Aminoquinazoline (CID 84759) is quinazolin-4-amine.
What is the SMILES notation for 4-Aminoquinazoline?
The canonical SMILES for 4-Aminoquinazoline is C1=CC=C2C(=C1)C(=NC=N2)N.
What is the InChIKey of 4-Aminoquinazoline?
The InChIKey is DRYRBWIFRVMRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11).
What are the key properties of 4-Aminoquinazoline?
4-Aminoquinazoline has a molecular weight of 145.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Aminoquinazoline is sourced from PubChem (CID 84759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).