[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine

C14H15ClN4O2 — CID 62251286

IUPAC[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(-c2cc(Cl)c3c(c2)OCO3)n1
InChIInChI=1S/C14H15ClN4O2/c1-2-3-9-6-12(19-16)18-14(17-9)8-4-10(15)13-11(5-8)20-7-21-13/h4-6H,2-3,7,16H2,1H3,(H,17,18,19)
InChIKeyHSYDGFWJXSALFF-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.76
Rot. Bonds4

About [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine

[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 62251286) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID62251286
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(-c2cc(Cl)c3c(c2)OCO3)n1
InChIInChI=1S/C14H15ClN4O2/c1-2-3-9-6-12(19-16)18-14(17-9)8-4-10(15)13-11(5-8)20-7-21-13/h4-6H,2-3,7,16H2,1H3,(H,17,18,19)
InChIKeyHSYDGFWJXSALFF-UHFFFAOYSA-N
XLogP2.76
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.76
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-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 63479650
[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine
CID 62250935
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202057
4,6-dichloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-ethylpyrimidine
CID 63613158
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370
5-bromo-2-(7-chloro-1,3-benzodioxol-5-yl)-6-ethylpyrimidin-4-amine
CID 66296558
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
CID 55063355
6-tert-butyl-2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-amine
CID 62204219
[2-(2-ethylpyrazol-3-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 114557509
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62915670
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985

Frequently Asked Questions

What is the IUPAC name of [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine (CID 62251286) is [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(-c2cc(Cl)c3c(c2)OCO3)n1.
What is the InChIKey of [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is HSYDGFWJXSALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-2-3-9-6-12(19-16)18-14(17-9)8-4-10(15)13-11(5-8)20-7-21-13/h4-6H,2-3,7,16H2,1H3,(H,17,18,19).
What are the key properties of [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 306.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).