[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine

C15H19ClN4O — CID 65022279

IUPAC[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)cc(C(C)(C)C)n2)cc1Cl
InChIInChI=1S/C15H19ClN4O/c1-15(2,3)12-8-13(20-17)19-14(18-12)9-5-6-11(21-4)10(16)7-9/h5-8H,17H2,1-4H3,(H,18,19,20)
InChIKeyPLOXQTSPOZGWCM-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.39
Rot. Bonds3

About [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine (PubChem CID 65022279) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
PubChem CID65022279
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)cc(C(C)(C)C)n2)cc1Cl
InChIInChI=1S/C15H19ClN4O/c1-15(2,3)12-8-13(20-17)19-14(18-12)9-5-6-11(21-4)10(16)7-9/h5-8H,17H2,1-4H3,(H,18,19,20)
InChIKeyPLOXQTSPOZGWCM-UHFFFAOYSA-N
XLogP3.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine (CID 65022279) is [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine is COc1ccc(-c2nc(NN)cc(C(C)(C)C)n2)cc1Cl.
What is the InChIKey of [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is PLOXQTSPOZGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-15(2,3)12-8-13(20-17)19-14(18-12)9-5-6-11(21-4)10(16)7-9/h5-8H,17H2,1-4H3,(H,18,19,20).
What are the key properties of [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 306.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65022279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).