3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane

C27H36N4O4 — CID 163222408

IUPAC3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane
SMILESCC.CCOc1ccc(C(=O)NC2CCOc3ccccc32)cc1CN1C(=O)CC(CC)N=C1N
InChIInChI=1S/C25H30N4O4.C2H6/c1-3-18-14-23(30)29(25(26)27-18)15-17-13-16(9-10-21(17)32-4-2)24(31)28-20-11-12-33-22-8-6-5-7-19(20)22;1-2/h5-10,13,18,20H,3-4,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,31);1-2H3
InChIKeyGIKQIECUXFYAJX-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.19
Rot. Bonds7

About 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane

3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane (PubChem CID 163222408) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane.

Molecular Properties

Compound Name3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane
PubChem CID163222408
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane
SMILESCC.CCOc1ccc(C(=O)NC2CCOc3ccccc32)cc1CN1C(=O)CC(CC)N=C1N
InChIInChI=1S/C25H30N4O4.C2H6/c1-3-18-14-23(30)29(25(26)27-18)15-17-13-16(9-10-21(17)32-4-2)24(31)28-20-11-12-33-22-8-6-5-7-19(20)22;1-2/h5-10,13,18,20H,3-4,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,31);1-2H3
InChIKeyGIKQIECUXFYAJX-UHFFFAOYSA-N
XLogP4.19
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-4-ethoxy-N-(3-hydroxy-3-methyl-4,5-dihydro-2H-1-benzoxepin-5-yl)benzamide
CID 163222406
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
2-amino-3-[[5-[1-[(2,3-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]ethenyl]-2-ethoxyphenyl]methyl]-6,6-diethyl-5H-pyrimidin-4-one
CID 163222368
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 32754604
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 31971686
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18193053
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058773

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane?
The IUPAC name of 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane (CID 163222408) is 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane.
What is the SMILES notation for 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane?
The canonical SMILES for 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane is CC.CCOc1ccc(C(=O)NC2CCOc3ccccc32)cc1CN1C(=O)CC(CC)N=C1N.
What is the InChIKey of 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane?
The InChIKey is GIKQIECUXFYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4.C2H6/c1-3-18-14-23(30)29(25(26)27-18)15-17-13-16(9-10-21(17)32-4-2)24(31)28-20-11-12-33-22-8-6-5-7-19(20)22;1-2/h5-10,13,18,20H,3-4,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,31);1-2H3.
What are the key properties of 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane?
3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane has a molecular weight of 480.61 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-ethyl-6-oxo-4,5-dihydropyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-4-ethoxybenzamide;ethane is sourced from PubChem (CID 163222408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).