N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C15H15N5O6 — CID 110525992

IUPACN-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(C)[nH]c(=O)n2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C15H15N5O6/c1-8-4-10(18-15(22)17-8)14(21)19-16-7-9-5-11(20(23)24)13(26-3)12(6-9)25-2/h4-7H,1-3H3,(H,19,21)(H,17,18,22)/b16-7+
InChIKeyGTWOFWVGIDSJKQ-FRKPEAEDSA-N
MW361.31 g/mol
LogP0.77
Rot. Bonds6

About N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 110525992) has the molecular formula C15H15N5O6 and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID110525992
Molecular FormulaC15H15N5O6
Molecular Weight361.31 g/mol
Exact Mass361.10
IUPAC NameN-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(C)[nH]c(=O)n2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C15H15N5O6/c1-8-4-10(18-15(22)17-8)14(21)19-16-7-9-5-11(20(23)24)13(26-3)12(6-9)25-2/h4-7H,1-3H3,(H,19,21)(H,17,18,22)/b16-7+
InChIKeyGTWOFWVGIDSJKQ-FRKPEAEDSA-N
XLogP0.77
TPSA148.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
6-methyl-2-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrimidine-4-carboxamide
CID 110526032
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526004
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526005
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515581
4-bromo-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135839872
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522849
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 110509329
N-[(E)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526014
5-tert-butyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1351155

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 110525992) is N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is COc1cc(/C=N/NC(=O)c2cc(C)[nH]c(=O)n2)cc([N+](=O)[O-])c1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is GTWOFWVGIDSJKQ-FRKPEAEDSA-N. The full InChI is InChI=1S/C15H15N5O6/c1-8-4-10(18-15(22)17-8)14(21)19-16-7-9-5-11(20(23)24)13(26-3)12(6-9)25-2/h4-7H,1-3H3,(H,19,21)(H,17,18,22)/b16-7+.
What are the key properties of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 361.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110525992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).