4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine

C12H15ClN6O2 — CID 80913116

IUPAC4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(NN)nc(N)n2)c(OC)cc1Cl
InChIInChI=1S/C12H15ClN6O2/c1-20-8-4-7(9(21-2)3-6(8)13)16-10-5-11(19-15)18-12(14)17-10/h3-5H,15H2,1-2H3,(H4,14,16,17,18,19)
InChIKeyHDMQMOALAPXFRZ-UHFFFAOYSA-N
MW310.75 g/mol
LogP1.76
Rot. Bonds5

About 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80913116) has the molecular formula C12H15ClN6O2 and a molecular weight of 310.75 g/mol. Its IUPAC name is 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80913116
Molecular FormulaC12H15ClN6O2
Molecular Weight310.75 g/mol
Exact Mass310.09
IUPAC Name4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(NN)nc(N)n2)c(OC)cc1Cl
InChIInChI=1S/C12H15ClN6O2/c1-20-8-4-7(9(21-2)3-6(8)13)16-10-5-11(19-15)18-12(14)17-10/h3-5H,15H2,1-2H3,(H4,14,16,17,18,19)
InChIKeyHDMQMOALAPXFRZ-UHFFFAOYSA-N
XLogP1.76
TPSA120.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridazin-3-amine
CID 43329630
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854664
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225
N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 107623692

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80913116) is 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is COc1cc(Nc2cc(NN)nc(N)n2)c(OC)cc1Cl.
What is the InChIKey of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is HDMQMOALAPXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O2/c1-20-8-4-7(9(21-2)3-6(8)13)16-10-5-11(19-15)18-12(14)17-10/h3-5H,15H2,1-2H3,(H4,14,16,17,18,19).
What are the key properties of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 310.75 g/mol, XLogP of 1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80913116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).