[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine

C14H15ClN4O2 — CID 62252059

IUPAC[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(Cl)c3c(c2)OCCO3)nc(NN)c1C
InChIInChI=1S/C14H15ClN4O2/c1-7-8(2)17-14(18-13(7)19-16)9-5-10(15)12-11(6-9)20-3-4-21-12/h5-6H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyIEUIKZPBAFWDKD-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.47
Rot. Bonds2

About [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 62252059) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID62252059
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(Cl)c3c(c2)OCCO3)nc(NN)c1C
InChIInChI=1S/C14H15ClN4O2/c1-7-8(2)17-14(18-13(7)19-16)9-5-10(15)12-11(6-9)20-3-4-21-12/h5-6H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyIEUIKZPBAFWDKD-UHFFFAOYSA-N
XLogP2.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 106818477
[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252025
5-bromo-2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N,6-dimethylpyrimidin-4-amine
CID 66302391
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2,4-thiadiazol-5-amine
CID 43556090
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282663
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320238
[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252586
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193655
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62915670
[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 115350539
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
CID 55063355

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 62252059) is [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(-c2cc(Cl)c3c(c2)OCCO3)nc(NN)c1C.
What is the InChIKey of [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is IEUIKZPBAFWDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-7-8(2)17-14(18-13(7)19-16)9-5-10(15)12-11(6-9)20-3-4-21-12/h5-6H,3-4,16H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 306.75 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).