N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide

C18H18N4O5S — CID 67550483

IUPACN'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOc1ccc(Oc2cc(NNC(=O)c3ccco3)nc(SC)n2)cc1OC
InChIInChI=1S/C18H18N4O5S/c1-24-12-7-6-11(9-14(12)25-2)27-16-10-15(19-18(20-16)28-3)21-22-17(23)13-5-4-8-26-13/h4-10H,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyBQIYQOLKAAWTNB-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.36
Rot. Bonds8

About N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide

N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 67550483) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID67550483
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOc1ccc(Oc2cc(NNC(=O)c3ccco3)nc(SC)n2)cc1OC
InChIInChI=1S/C18H18N4O5S/c1-24-12-7-6-11(9-14(12)25-2)27-16-10-15(19-18(20-16)28-3)21-22-17(23)13-5-4-8-26-13/h4-10H,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyBQIYQOLKAAWTNB-UHFFFAOYSA-N
XLogP3.36
TPSA107.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953269
1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
CID 971429
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22002458
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 3189435

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide (CID 67550483) is N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide is COc1ccc(Oc2cc(NNC(=O)c3ccco3)nc(SC)n2)cc1OC.
What is the InChIKey of N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is BQIYQOLKAAWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-24-12-7-6-11(9-14(12)25-2)27-16-10-15(19-18(20-16)28-3)21-22-17(23)13-5-4-8-26-13/h4-10H,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 402.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 67550483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).