N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

C17H16N6O4 — CID 23495475

IUPACN'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H16N6O4/c1-10-5-6-12(11(2)8-10)20-15-14(23(25)26)16(19-9-18-15)21-22-17(24)13-4-3-7-27-13/h3-9H,1-2H3,(H,22,24)(H2,18,19,20,21)
InChIKeyGCASWFOAWSENCW-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.10
Rot. Bonds6

About N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 23495475) has the molecular formula C17H16N6O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID23495475
Molecular FormulaC17H16N6O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC NameN'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H16N6O4/c1-10-5-6-12(11(2)8-10)20-15-14(23(25)26)16(19-9-18-15)21-22-17(24)13-4-3-7-27-13/h3-9H,1-2H3,(H,22,24)(H2,18,19,20,21)
InChIKeyGCASWFOAWSENCW-UHFFFAOYSA-N
XLogP3.10
TPSA135.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-(2,4-difluoroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536795
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 23495456
N'-[6-(3-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23484051
N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536768
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
N'-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22533943
N'-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536778
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23485550
dimethyl 5-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486384
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 23495471
4-N-(2,4-dimethylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486905

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 23495475) is N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is Cc1ccc(Nc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])c(C)c1.
What is the InChIKey of N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is GCASWFOAWSENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O4/c1-10-5-6-12(11(2)8-10)20-15-14(23(25)26)16(19-9-18-15)21-22-17(24)13-4-3-7-27-13/h3-9H,1-2H3,(H,22,24)(H2,18,19,20,21).
What are the key properties of N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 368.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 23495475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).