N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide

C22H29N5O7 — CID 54737247

IUPACN-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide
SMILESCOc1cccc(CNC(=O)c2nc(C(C)(C)NC(=O)C(=O)N(C)C)n(C)c(=O)c2O)c1OC
InChIInChI=1S/C22H29N5O7/c1-22(2,25-18(30)20(32)26(3)4)21-24-14(15(28)19(31)27(21)5)17(29)23-11-12-9-8-10-13(33-6)16(12)34-7/h8-10,28H,11H2,1-7H3,(H,23,29)(H,25,30)
InChIKeyHIUQYSIFZDXRMS-UHFFFAOYSA-N
MW475.50 g/mol
LogP-0.13
Rot. Bonds7

About N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide

N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide (PubChem CID 54737247) has the molecular formula C22H29N5O7 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide.

Molecular Properties

Compound NameN-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide
PubChem CID54737247
Molecular FormulaC22H29N5O7
Molecular Weight475.50 g/mol
Exact Mass475.21
IUPAC NameN-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide
SMILESCOc1cccc(CNC(=O)c2nc(C(C)(C)NC(=O)C(=O)N(C)C)n(C)c(=O)c2O)c1OC
InChIInChI=1S/C22H29N5O7/c1-22(2,25-18(30)20(32)26(3)4)21-24-14(15(28)19(31)27(21)5)17(29)23-11-12-9-8-10-13(33-6)16(12)34-7/h8-10,28H,11H2,1-7H3,(H,23,29)(H,25,30)
InChIKeyHIUQYSIFZDXRMS-UHFFFAOYSA-N
XLogP-0.13
TPSA152.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[(3-methoxyphenyl)methyl]-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677527
2-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 135446277
2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54735092
2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 136036653
N-(3,4-dimethoxybenzyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
CID 49807269
benzyl N-[1-[4,5-dihydroxy-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]pyrimidin-2-yl]-1-methyl-ethyl]carbamate
CID 136252893
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
CID 156018691
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 91913742
3-hydroxy-N-[(3-methoxyphenyl)methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717538
3-hydroxy-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717541
N-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717545
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717546

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
The IUPAC name of N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide (CID 54737247) is N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide.
What is the SMILES notation for N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
The canonical SMILES for N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide is COc1cccc(CNC(=O)c2nc(C(C)(C)NC(=O)C(=O)N(C)C)n(C)c(=O)c2O)c1OC.
What is the InChIKey of N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
The InChIKey is HIUQYSIFZDXRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O7/c1-22(2,25-18(30)20(32)26(3)4)21-24-14(15(28)19(31)27(21)5)17(29)23-11-12-9-8-10-13(33-6)16(12)34-7/h8-10,28H,11H2,1-7H3,(H,23,29)(H,25,30).
What are the key properties of N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide has a molecular weight of 475.50 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,3-dimethoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide is sourced from PubChem (CID 54737247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).