N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C12H14ClN5 — CID 80928095

IUPACN-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1ncnc(NN)c1C
InChIInChI=1S/C12H14ClN5/c1-7-9(13)4-3-5-10(7)17-11-8(2)12(18-14)16-6-15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMDIKZSUDQPHWQB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.78
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80928095) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80928095
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC NameN-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1ncnc(NN)c1C
InChIInChI=1S/C12H14ClN5/c1-7-9(13)4-3-5-10(7)17-11-8(2)12(18-14)16-6-15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMDIKZSUDQPHWQB-UHFFFAOYSA-N
XLogP2.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine 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

N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897397
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 22545323

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80928095) is N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(Cl)cccc1Nc1ncnc(NN)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is MDIKZSUDQPHWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-7-9(13)4-3-5-10(7)17-11-8(2)12(18-14)16-6-15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80928095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).