1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol

C15H12ClN5O — CID 4163298

IUPAC1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1cc(Cl)nc(NN=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C15H12ClN5O/c16-13-7-14(17)20-15(19-13)21-18-8-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,17,19,20,21)
InChIKeyPBJPBRYDLCFTFX-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.02
Rot. Bonds3

About 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 4163298) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID4163298
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1cc(Cl)nc(NN=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C15H12ClN5O/c16-13-7-14(17)20-15(19-13)21-18-8-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,17,19,20,21)
InChIKeyPBJPBRYDLCFTFX-UHFFFAOYSA-N
XLogP3.02
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 4163298) is 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is Nc1cc(Cl)nc(NN=Cc2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is PBJPBRYDLCFTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-13-7-14(17)20-15(19-13)21-18-8-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,17,19,20,21).
What are the key properties of 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 313.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 4163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).