[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine

C14H17ClN4O — CID 65022452

IUPAC[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(-c2ccc(OC)c(Cl)c2)nc(NN)c1C
InChIInChI=1S/C14H17ClN4O/c1-4-11-8(2)13(19-16)18-14(17-11)9-5-6-12(20-3)10(15)7-9/h5-7H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyXWVSIUUQNDPOHU-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.96
Rot. Bonds4

About [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine

[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 65022452) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID65022452
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(-c2ccc(OC)c(Cl)c2)nc(NN)c1C
InChIInChI=1S/C14H17ClN4O/c1-4-11-8(2)13(19-16)18-14(17-11)9-5-6-12(20-3)10(15)7-9/h5-7H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyXWVSIUUQNDPOHU-UHFFFAOYSA-N
XLogP2.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.96
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 [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 65022452) is [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(-c2ccc(OC)c(Cl)c2)nc(NN)c1C.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is XWVSIUUQNDPOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-11-8(2)13(19-16)18-14(17-11)9-5-6-12(20-3)10(15)7-9/h5-7H,4,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65022452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).