N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide

C18H20N6O3 — CID 26121911

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NNc2nc(C)cc(C)n2)c1=O
InChIInChI=1S/C18H20N6O3/c1-4-23-16(26)13-7-5-6-8-14(13)24(18(23)27)10-15(25)21-22-17-19-11(2)9-12(3)20-17/h5-9H,4,10H2,1-3H3,(H,21,25)(H,19,20,22)
InChIKeyAERMEWFANDCRPZ-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.73
Rot. Bonds5

About N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide (PubChem CID 26121911) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide
PubChem CID26121911
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NNc2nc(C)cc(C)n2)c1=O
InChIInChI=1S/C18H20N6O3/c1-4-23-16(26)13-7-5-6-8-14(13)24(18(23)27)10-15(25)21-22-17-19-11(2)9-12(3)20-17/h5-9H,4,10H2,1-3H3,(H,21,25)(H,19,20,22)
InChIKeyAERMEWFANDCRPZ-UHFFFAOYSA-N
XLogP0.73
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
CID 29331067
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(1H-benzimidazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 24508854
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 24642200
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432888

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide (CID 26121911) is N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide is CCn1c(=O)c2ccccc2n(CC(=O)NNc2nc(C)cc(C)n2)c1=O.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide?
The InChIKey is AERMEWFANDCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-4-23-16(26)13-7-5-6-8-14(13)24(18(23)27)10-15(25)21-22-17-19-11(2)9-12(3)20-17/h5-9H,4,10H2,1-3H3,(H,21,25)(H,19,20,22).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide has a molecular weight of 368.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide is sourced from PubChem (CID 26121911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).