N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C21H26N4O4 — CID 51363395

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NC2CCc3ccccc32)c(N2CCOCC2)n1
InChIInChI=1S/C21H26N4O4/c1-28-14-16-12-20(27)25(21(22-16)24-8-10-29-11-9-24)13-19(26)23-18-7-6-15-4-2-3-5-17(15)18/h2-5,12,18H,6-11,13-14H2,1H3,(H,23,26)
InChIKeyZKATXRSXVLJVAM-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.03
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51363395) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51363395
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NC2CCc3ccccc32)c(N2CCOCC2)n1
InChIInChI=1S/C21H26N4O4/c1-28-14-16-12-20(27)25(21(22-16)24-8-10-29-11-9-24)13-19(26)23-18-7-6-15-4-2-3-5-17(15)18/h2-5,12,18H,6-11,13-14H2,1H3,(H,23,26)
InChIKeyZKATXRSXVLJVAM-UHFFFAOYSA-N
XLogP1.03
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95181257
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate
CID 53129699
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 91951582
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 69039913
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95183078
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 30867258

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 51363395) is N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)NC2CCc3ccccc32)c(N2CCOCC2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is ZKATXRSXVLJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-14-16-12-20(27)25(21(22-16)24-8-10-29-11-9-24)13-19(26)23-18-7-6-15-4-2-3-5-17(15)18/h2-5,12,18H,6-11,13-14H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51363395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).