benzo[h]quinazoline-2,4-diamine

C12H10N4 — CID 70564764

IUPACbenzo[h]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc3ccccc3c2n1
InChIInChI=1S/C12H10N4/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)15-12(14)16-11/h1-6H,(H4,13,14,15,16)
InChIKeyBWEIJWJENIQMPG-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds

About benzo[h]quinazoline-2,4-diamine

benzo[h]quinazoline-2,4-diamine (PubChem CID 70564764) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is benzo[h]quinazoline-2,4-diamine.

Molecular Properties

Compound Namebenzo[h]quinazoline-2,4-diamine
PubChem CID70564764
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Namebenzo[h]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc3ccccc3c2n1
InChIInChI=1S/C12H10N4/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)15-12(14)16-11/h1-6H,(H4,13,14,15,16)
InChIKeyBWEIJWJENIQMPG-UHFFFAOYSA-N
XLogP1.95
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
2,4,6-Triaminoquinazoline
CID 292661
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
4-Methyl-2-quinazolinamine
CID 269325
8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
CID 448610
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
CID 777317
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
1-(6-Fluoro-4-phenylquinazolin-2-yl)guanidine
CID 2960739

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinazoline-2,4-diamine?
The IUPAC name of benzo[h]quinazoline-2,4-diamine (CID 70564764) is benzo[h]quinazoline-2,4-diamine.
What is the SMILES notation for benzo[h]quinazoline-2,4-diamine?
The canonical SMILES for benzo[h]quinazoline-2,4-diamine is Nc1nc(N)c2ccc3ccccc3c2n1.
What is the InChIKey of benzo[h]quinazoline-2,4-diamine?
The InChIKey is BWEIJWJENIQMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)15-12(14)16-11/h1-6H,(H4,13,14,15,16).
What are the key properties of benzo[h]quinazoline-2,4-diamine?
benzo[h]quinazoline-2,4-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinazoline-2,4-diamine is sourced from PubChem (CID 70564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).