N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C19H23ClN4O4 — CID 91903931

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c(N2CCOCC2)n1
InChIInChI=1S/C19H23ClN4O4/c1-13-15(20)4-3-5-16(13)22-17(25)11-24-18(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)
InChIKeyJLXMNMDVFJMICE-UHFFFAOYSA-N
MW406.87 g/mol
LogP1.83
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91903931) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID91903931
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c(N2CCOCC2)n1
InChIInChI=1S/C19H23ClN4O4/c1-13-15(20)4-3-5-16(13)22-17(25)11-24-18(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)
InChIKeyJLXMNMDVFJMICE-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 91903931) is N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c(N2CCOCC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is JLXMNMDVFJMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-13-15(20)4-3-5-16(13)22-17(25)11-24-18(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-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-(3-chloro-2-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-(3-chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91903931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).