N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide

C21H23N3O6 — CID 92688313

IUPACN-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2=N[C@@H](c3cc(OC)ccc3OC)CC(=O)N2)c1
InChIInChI=1S/C21H23N3O6/c1-27-13-5-6-18(30-4)16(10-13)17-11-19(25)23-21(22-17)24-20(26)12-7-14(28-2)9-15(8-12)29-3/h5-10,17H,11H2,1-4H3,(H2,22,23,24,25,26)/t17-/m1/s1
InChIKeyYRDLEWUIZXNVHW-QGZVFWFLSA-N
MW413.43 g/mol
LogP2.07
Rot. Bonds6

About N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide

N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide (PubChem CID 92688313) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
PubChem CID92688313
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2=N[C@@H](c3cc(OC)ccc3OC)CC(=O)N2)c1
InChIInChI=1S/C21H23N3O6/c1-27-13-5-6-18(30-4)16(10-13)17-11-19(25)23-21(22-17)24-20(26)12-7-14(28-2)9-15(8-12)29-3/h5-10,17H,11H2,1-4H3,(H2,22,23,24,25,26)/t17-/m1/s1
InChIKeyYRDLEWUIZXNVHW-QGZVFWFLSA-N
XLogP2.07
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-(dimethylamino)benzamide
CID 20905488
N-[(4S)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thiophene-2-carboxamide
CID 92705426
3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 20905465
N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 92688274
3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92655561
4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 22426275
[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
CID 92857079
N-[(4S)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-4-methylbenzamide
CID 92705396
N-[(4S)-4-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-4-methylbenzamide
CID 92688221
N-[(4R)-4-(2-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]pyridine-3-carboxamide
CID 92705373
N-[4-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]pyridine-3-carboxamide
CID 20905453
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide (CID 92688313) is N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC2=N[C@@H](c3cc(OC)ccc3OC)CC(=O)N2)c1.
What is the InChIKey of N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is YRDLEWUIZXNVHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-27-13-5-6-18(30-4)16(10-13)17-11-19(25)23-21(22-17)24-20(26)12-7-14(28-2)9-15(8-12)29-3/h5-10,17H,11H2,1-4H3,(H2,22,23,24,25,26)/t17-/m1/s1.
What are the key properties of N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide?
N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 413.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 92688313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).