[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine

C14H17ClN4O2 — CID 62252025

IUPAC[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(-c2nc(C)c(C)c(NN)n2)cc(Cl)c1OC
InChIInChI=1S/C14H17ClN4O2/c1-7-8(2)17-14(18-13(7)19-16)9-5-10(15)12(21-4)11(6-9)20-3/h5-6H,16H2,1-4H3,(H,17,18,19)
InChIKeyPCLFNZYXYHGZBP-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.72
Rot. Bonds4

About [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 62252025) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID62252025
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(-c2nc(C)c(C)c(NN)n2)cc(Cl)c1OC
InChIInChI=1S/C14H17ClN4O2/c1-7-8(2)17-14(18-13(7)19-16)9-5-10(15)12(21-4)11(6-9)20-3/h5-6H,16H2,1-4H3,(H,17,18,19)
InChIKeyPCLFNZYXYHGZBP-UHFFFAOYSA-N
XLogP2.72
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.72
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-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252059
[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 65022452
[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252586
5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425
ethyl 3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 63357988
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252767
N-[[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 60955513
(1R)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915243
(1S)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264441
[5,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]hydrazine
CID 62252624

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 62252025) is [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine is COc1cc(-c2nc(C)c(C)c(NN)n2)cc(Cl)c1OC.
What is the InChIKey of [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is PCLFNZYXYHGZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-7-8(2)17-14(18-13(7)19-16)9-5-10(15)12(21-4)11(6-9)20-3/h5-6H,16H2,1-4H3,(H,17,18,19).
What are the key properties of [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 308.77 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).