N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C19H23ClN4O4 — CID 50926672

IUPACN-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(N2CCOCC2)n1
InChIInChI=1S/C19H23ClN4O4/c1-13-4-3-5-15(20)18(13)22-16(25)11-24-17(26)10-14(12-27-2)21-19(24)23-6-8-28-9-7-23/h3-5,10H,6-9,11-12H2,1-2H3,(H,22,25)
InChIKeyGLNZURLUGILBSI-UHFFFAOYSA-N
MW406.87 g/mol
LogP1.83
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 50926672) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID50926672
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(N2CCOCC2)n1
InChIInChI=1S/C19H23ClN4O4/c1-13-4-3-5-15(20)18(13)22-16(25)11-24-17(26)10-14(12-27-2)21-19(24)23-6-8-28-9-7-23/h3-5,10H,6-9,11-12H2,1-2H3,(H,22,25)
InChIKeyGLNZURLUGILBSI-UHFFFAOYSA-N
XLogP1.83
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 51364963
N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51363395
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
CID 51363351
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-(5,6-dimethyl-2-morpholin-4-yl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 53201968
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 27780344

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 50926672) is N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(N2CCOCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is GLNZURLUGILBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-13-4-3-5-15(20)18(13)22-16(25)11-24-17(26)10-14(12-27-2)21-19(24)23-6-8-28-9-7-23/h3-5,10H,6-9,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50926672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).