N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride

C12H18BrClN4O3 — CID 119601957

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C12H17BrN4O3.ClH/c13-8-5-17(12(20)16-11(8)19)6-10(18)15-9-3-1-2-7(9)4-14;/h5,7,9H,1-4,6,14H2,(H,15,18)(H,16,19,20);1H
InChIKeyZUVFRAMZOLSBSJ-UHFFFAOYSA-N
MW381.66 g/mol
LogP-0.04
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride (PubChem CID 119601957) has the molecular formula C12H18BrClN4O3 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
PubChem CID119601957
Molecular FormulaC12H18BrClN4O3
Molecular Weight381.66 g/mol
Exact Mass380.03
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C12H17BrN4O3.ClH/c13-8-5-17(12(20)16-11(8)19)6-10(18)15-9-3-1-2-7(9)4-14;/h5,7,9H,1-4,6,14H2,(H,15,18)(H,16,19,20);1H
InChIKeyZUVFRAMZOLSBSJ-UHFFFAOYSA-N
XLogP-0.04
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride with MolForge

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Related Compounds

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 124732047
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119619861
N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119604554
N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119604671
N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119610019
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119609686
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119601169
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride (CID 119601957) is N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
The InChIKey is ZUVFRAMZOLSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O3.ClH/c13-8-5-17(12(20)16-11(8)19)6-10(18)15-9-3-1-2-7(9)4-14;/h5,7,9H,1-4,6,14H2,(H,15,18)(H,16,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride has a molecular weight of 381.66 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119601957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).