5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine

C14H12ClN5 — CID 80930813

IUPAC5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H12ClN5/c15-11-8-17-14(20-16)19-13(11)18-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,16H2,(H2,17,18,19,20)
InChIKeyHYFMFEYEJIBLBL-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.31
Rot. Bonds3

About 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine

5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 80930813) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
PubChem CID80930813
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H12ClN5/c15-11-8-17-14(20-16)19-13(11)18-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,16H2,(H2,17,18,19,20)
InChIKeyHYFMFEYEJIBLBL-UHFFFAOYSA-N
XLogP3.31
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.31
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-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80747986
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
CID 63874030
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine (CID 80930813) is 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine is NNc1ncc(Cl)c(Nc2cccc3ccccc23)n1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is HYFMFEYEJIBLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-11-8-17-14(20-16)19-13(11)18-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,16H2,(H2,17,18,19,20).
What are the key properties of 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 285.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80930813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).