N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C20H24BrN3O3 — CID 154852435

IUPACN-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C20H24BrN3O3/c1-13-16(18(26)24-19(27)23-13)11-17(25)22-12-20(9-3-2-4-10-20)14-5-7-15(21)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,22,25)(H2,23,24,26,27)
InChIKeyMITPYQRLXKHTHN-UHFFFAOYSA-N
MW434.33 g/mol
LogP2.69
Rot. Bonds5

About N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 154852435) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID154852435
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC NameN-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C20H24BrN3O3/c1-13-16(18(26)24-19(27)23-13)11-17(25)22-12-20(9-3-2-4-10-20)14-5-7-15(21)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,22,25)(H2,23,24,26,27)
InChIKeyMITPYQRLXKHTHN-UHFFFAOYSA-N
XLogP2.69
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide with MolForge

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Related Compounds

N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935171
3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 122003095
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545659
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(3-hydroxypropyl)urea
CID 110902756

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 154852435) is N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1(c2ccc(Br)cc2)CCCCC1.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is MITPYQRLXKHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-13-16(18(26)24-19(27)23-13)11-17(25)22-12-20(9-3-2-4-10-20)14-5-7-15(21)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,22,25)(H2,23,24,26,27).
What are the key properties of N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 434.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclohexyl]methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 154852435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).