4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine

C16H15BrN4 — CID 80738031

IUPAC4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(Nc2cccc(Br)c2)c2ccccc2n1
InChIInChI=1S/C16H15BrN4/c1-2-18-16-20-14-9-4-3-8-13(14)15(21-16)19-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3,(H2,18,19,20,21)
InChIKeyOGRATETXORPYEG-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.57
Rot. Bonds4

About 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine

4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine (PubChem CID 80738031) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
PubChem CID80738031
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(Nc2cccc(Br)c2)c2ccccc2n1
InChIInChI=1S/C16H15BrN4/c1-2-18-16-20-14-9-4-3-8-13(14)15(21-16)19-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3,(H2,18,19,20,21)
InChIKeyOGRATETXORPYEG-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
CID 84608604
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine (CID 80738031) is 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine is CCNc1nc(Nc2cccc(Br)c2)c2ccccc2n1.
What is the InChIKey of 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine?
The InChIKey is OGRATETXORPYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-2-18-16-20-14-9-4-3-8-13(14)15(21-16)19-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine?
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine has a molecular weight of 343.23 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine is sourced from PubChem (CID 80738031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).