2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine

C15H19N5 — CID 80969126

IUPAC2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCc1cccc(Nc2cc(NN)nc(C3CC3)n2)c1C
InChIInChI=1S/C15H19N5/c1-9-4-3-5-12(10(9)2)17-13-8-14(20-16)19-15(18-13)11-6-7-11/h3-5,8,11H,6-7,16H2,1-2H3,(H2,17,18,19,20)
InChIKeySMIAIFHINNMYLR-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.00
Rot. Bonds4

About 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine

2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80969126) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80969126
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCc1cccc(Nc2cc(NN)nc(C3CC3)n2)c1C
InChIInChI=1S/C15H19N5/c1-9-4-3-5-12(10(9)2)17-13-8-14(20-16)19-15(18-13)11-6-7-11/h3-5,8,11H,6-7,16H2,1-2H3,(H2,17,18,19,20)
InChIKeySMIAIFHINNMYLR-UHFFFAOYSA-N
XLogP3.00
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.00
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-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
2-cyclopropyl-6-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80968890
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
2-cyclopropyl-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969313
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
2-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine (CID 80969126) is 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine is Cc1cccc(Nc2cc(NN)nc(C3CC3)n2)c1C.
What is the InChIKey of 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is SMIAIFHINNMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-4-3-5-12(10(9)2)17-13-8-14(20-16)19-15(18-13)11-6-7-11/h3-5,8,11H,6-7,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine?
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80969126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).