2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide

C19H23N3O5 — CID 90650989

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H23N3O5/c1-12-14(18(24)22-19(25)20-12)9-17(23)21-15-11-26-8-7-16(15)27-10-13-5-3-2-4-6-13/h2-6,15-16H,7-11H2,1H3,(H,21,23)(H2,20,22,24,25)/t15-,16+/m1/s1
InChIKeyNJDOMIZLDYTKMY-CVEARBPZSA-N
MW373.41 g/mol
LogP0.40
Rot. Bonds6

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide (PubChem CID 90650989) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
PubChem CID90650989
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H23N3O5/c1-12-14(18(24)22-19(25)20-12)9-17(23)21-15-11-26-8-7-16(15)27-10-13-5-3-2-4-6-13/h2-6,15-16H,7-11H2,1H3,(H,21,23)(H2,20,22,24,25)/t15-,16+/m1/s1
InChIKeyNJDOMIZLDYTKMY-CVEARBPZSA-N
XLogP0.40
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide (CID 90650989) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
The InChIKey is NJDOMIZLDYTKMY-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-14(18(24)22-19(25)20-12)9-17(23)21-15-11-26-8-7-16(15)27-10-13-5-3-2-4-6-13/h2-6,15-16H,7-11H2,1H3,(H,21,23)(H2,20,22,24,25)/t15-,16+/m1/s1.
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide is sourced from PubChem (CID 90650989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).