N-(2-bromoprop-2-enyl)quinazolin-4-amine

C11H10BrN3 — CID 115594968

IUPACN-(2-bromoprop-2-enyl)quinazolin-4-amine
SMILESC=C(Br)CNc1ncnc2ccccc12
InChIInChI=1S/C11H10BrN3/c1-8(12)6-13-11-9-4-2-3-5-10(9)14-7-15-11/h2-5,7H,1,6H2,(H,13,14,15)
InChIKeyRDSDGEQGNMZSBE-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.95
Rot. Bonds3

About N-(2-bromoprop-2-enyl)quinazolin-4-amine

N-(2-bromoprop-2-enyl)quinazolin-4-amine (PubChem CID 115594968) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)quinazolin-4-amine
PubChem CID115594968
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC NameN-(2-bromoprop-2-enyl)quinazolin-4-amine
SMILESC=C(Br)CNc1ncnc2ccccc12
InChIInChI=1S/C11H10BrN3/c1-8(12)6-13-11-9-4-2-3-5-10(9)14-7-15-11/h2-5,7H,1,6H2,(H,13,14,15)
InChIKeyRDSDGEQGNMZSBE-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
CID 21002376
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
CID 67890696
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103634964

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)quinazolin-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)quinazolin-4-amine (CID 115594968) is N-(2-bromoprop-2-enyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)quinazolin-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)quinazolin-4-amine is C=C(Br)CNc1ncnc2ccccc12.
What is the InChIKey of N-(2-bromoprop-2-enyl)quinazolin-4-amine?
The InChIKey is RDSDGEQGNMZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-8(12)6-13-11-9-4-2-3-5-10(9)14-7-15-11/h2-5,7H,1,6H2,(H,13,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)quinazolin-4-amine?
N-(2-bromoprop-2-enyl)quinazolin-4-amine has a molecular weight of 264.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)quinazolin-4-amine is sourced from PubChem (CID 115594968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).