4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine

C21H19N5 — CID 139981788

IUPAC4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccccc3-c3ccncc3)c2c1
InChIInChI=1S/C21H19N5/c22-17-5-6-20-19(13-17)21(26-14-25-20)24-12-9-15-3-1-2-4-18(15)16-7-10-23-11-8-16/h1-8,10-11,13-14H,9,12,22H2,(H,24,25,26)
InChIKeyKEJUDSUREYRCDM-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.93
Rot. Bonds5

About 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 139981788) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID139981788
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccccc3-c3ccncc3)c2c1
InChIInChI=1S/C21H19N5/c22-17-5-6-20-19(13-17)21(26-14-25-20)24-12-9-15-3-1-2-4-18(15)16-7-10-23-11-8-16/h1-8,10-11,13-14H,9,12,22H2,(H,24,25,26)
InChIKeyKEJUDSUREYRCDM-UHFFFAOYSA-N
XLogP3.93
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Aminoquinazoline
CID 589288
Spautin-1
CID 51037431
Ngd-8243
CID 11247522
Ly-3009120
CID 71721540
1954U89
CID 177894
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
Pazelliptine
CID 68853
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
CR-4056
CID 24898732
5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
A804598
CID 53325874

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine (CID 139981788) is 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3ccccc3-c3ccncc3)c2c1.
What is the InChIKey of 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is KEJUDSUREYRCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c22-17-5-6-20-19(13-17)21(26-14-25-20)24-12-9-15-3-1-2-4-18(15)16-7-10-23-11-8-16/h1-8,10-11,13-14H,9,12,22H2,(H,24,25,26).
What are the key properties of 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 341.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).