N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine

C12H15N5 — CID 80928362

IUPACN-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cccc(Nc2ccnc(NN)n2)c1C
InChIInChI=1S/C12H15N5/c1-8-4-3-5-10(9(8)2)15-11-6-7-14-12(16-11)17-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyNGUYDKMUTLIYNI-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.12
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine

N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80928362) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80928362
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cccc(Nc2ccnc(NN)n2)c1C
InChIInChI=1S/C12H15N5/c1-8-4-3-5-10(9(8)2)15-11-6-7-14-12(16-11)17-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyNGUYDKMUTLIYNI-UHFFFAOYSA-N
XLogP2.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.12
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

2-[[2-(2,3-dimethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112902763
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603
N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927503
4-N-(2,3-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112899539
4-N-(2,3-dimethylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902723
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901450
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897002
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80928362) is N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1cccc(Nc2ccnc(NN)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is NGUYDKMUTLIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-4-3-5-10(9(8)2)15-11-6-7-14-12(16-11)17-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80928362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).