2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide

C20H25N3O4 — CID 136696882

IUPAC2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NC[C@H]2COc3cc(OC)ccc3C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O4/c1-4-18-22-12(2)16(20(25)23-18)9-19(24)21-10-13-7-14-5-6-15(26-3)8-17(14)27-11-13/h5-6,8,13H,4,7,9-11H2,1-3H3,(H,21,24)(H,22,23,25)/t13-/m0/s1
InChIKeyMMDOCNDTLBOMNY-ZDUSSCGKSA-N
MW371.44 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide (PubChem CID 136696882) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
PubChem CID136696882
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NC[C@H]2COc3cc(OC)ccc3C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O4/c1-4-18-22-12(2)16(20(25)23-18)9-19(24)21-10-13-7-14-5-6-15(26-3)8-17(14)27-11-13/h5-6,8,13H,4,7,9-11H2,1-3H3,(H,21,24)(H,22,23,25)/t13-/m0/s1
InChIKeyMMDOCNDTLBOMNY-ZDUSSCGKSA-N
XLogP1.56
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 97282710
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 72855713
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
2-(hydroxymethyl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 97280412
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
CID 97279612
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
CID 72879978

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide (CID 136696882) is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide is CCc1nc(C)c(CC(=O)NC[C@H]2COc3cc(OC)ccc3C2)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
The InChIKey is MMDOCNDTLBOMNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-18-22-12(2)16(20(25)23-18)9-19(24)21-10-13-7-14-5-6-15(26-3)8-17(14)27-11-13/h5-6,8,13H,4,7,9-11H2,1-3H3,(H,21,24)(H,22,23,25)/t13-/m0/s1.
What are the key properties of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide?
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide is sourced from PubChem (CID 136696882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).