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

C13H16ClN5 — CID 80928246

IUPACN-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C13H16ClN5/c1-7-10(14)5-4-6-11(7)18-12-8(2)13(19-15)17-9(3)16-12/h4-6H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyZDGHFRIZMPYUEZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.08
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80928246) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80928246
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC NameN-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C13H16ClN5/c1-7-10(14)5-4-6-11(7)18-12-8(2)13(19-15)17-9(3)16-12/h4-6H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyZDGHFRIZMPYUEZ-UHFFFAOYSA-N
XLogP3.08
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.08
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'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629
N-(3,4-dichlorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80926306
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80920659
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (CID 80928246) is N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(NN)c(C)c(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is ZDGHFRIZMPYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-7-10(14)5-4-6-11(7)18-12-8(2)13(19-15)17-9(3)16-12/h4-6H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.08, 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-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80928246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).