[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine

C15H20N4O2 — CID 62252600

IUPAC[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C15H20N4O2/c1-4-6-10-9-13(19-16)18-15(17-10)11-7-5-8-12(20-2)14(11)21-3/h5,7-9H,4,6,16H2,1-3H3,(H,17,18,19)
InChIKeyVRHCBVQLHAUAAQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine

[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 62252600) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID62252600
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C15H20N4O2/c1-4-6-10-9-13(19-16)18-15(17-10)11-7-5-8-12(20-2)14(11)21-3/h5,7-9H,4,6,16H2,1-3H3,(H,17,18,19)
InChIKeyVRHCBVQLHAUAAQ-UHFFFAOYSA-N
XLogP2.40
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine (CID 62252600) is [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is VRHCBVQLHAUAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-6-10-9-13(19-16)18-15(17-10)11-7-5-8-12(20-2)14(11)21-3/h5,7-9H,4,6,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 288.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).