N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride

C16H20BrClN4O3 — CID 21090232

IUPACN-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCn1cnc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C16H19BrN4O3.ClH/c17-14-15(24-10-12-4-2-1-3-5-12)20-11-21(16(14)23)9-6-13(22)19-8-7-18;/h1-5,11H,6-10,18H2,(H,19,22);1H
InChIKeyVADGRFLXNSJVFP-UHFFFAOYSA-N
MW431.72 g/mol
LogP1.47
Rot. Bonds8

About N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride (PubChem CID 21090232) has the molecular formula C16H20BrClN4O3 and a molecular weight of 431.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride
PubChem CID21090232
Molecular FormulaC16H20BrClN4O3
Molecular Weight431.72 g/mol
Exact Mass430.04
IUPAC NameN-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCn1cnc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C16H19BrN4O3.ClH/c17-14-15(24-10-12-4-2-1-3-5-12)20-11-21(16(14)23)9-6-13(22)19-8-7-18;/h1-5,11H,6-10,18H2,(H,19,22);1H
InChIKeyVADGRFLXNSJVFP-UHFFFAOYSA-N
XLogP1.47
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
CID 21090152
5-bromo-3-[(4-bromophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090138
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
CID 21089386
3-[(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]piperidine-1-carboxylic acid
CID 174525193
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
CID 51126583
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
3-[[3-(aminomethyl)phenyl]methyl]-5-bromo-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089181
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
CID 82031748
tert-butyl 3-[(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 21090320

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride (CID 21090232) is N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride is Cl.NCCNC(=O)CCn1cnc(OCc2ccccc2)c(Br)c1=O.
What is the InChIKey of N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride?
The InChIKey is VADGRFLXNSJVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3.ClH/c17-14-15(24-10-12-4-2-1-3-5-12)20-11-21(16(14)23)9-6-13(22)19-8-7-18;/h1-5,11H,6-10,18H2,(H,19,22);1H.
What are the key properties of N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride has a molecular weight of 431.72 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 21090232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).