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

C15H12ClN5O — CID 135401426

IUPAC1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1cc(Cl)nc(N/N=C/c2c(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)/b18-8+
InChIKeyPBJPBRYDLCFTFX-QGMBQPNBSA-N
MW313.75 g/mol
LogP3.02
Rot. Bonds3

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

1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135401426) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135401426
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1cc(Cl)nc(N/N=C/c2c(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)/b18-8+
InChIKeyPBJPBRYDLCFTFX-QGMBQPNBSA-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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Related Compounds

1-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3099297
1-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-naphthalen-2-ol
CID 135443068
4-Hydroxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135504504
1-(Pyrimidin-2-yliminomethyl)-naphthalen-2-ol
CID 2306503
2-[(E)-[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methyl-3-propan-2-ylphenol
CID 177503784
3-[2-[(4-Chloropyrimidin-2-yl)amino]ethyl]-1-fluoronaphthalen-2-ol
CID 135381168
3-[2-[(6-Chloropyrimidin-4-yl)amino]ethyl]-1-fluoronaphthalen-2-ol
CID 135382034
1-[[[2-(2-Hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 3091038
1-[(E)-pyrimidin-2-yliminomethyl]naphthalen-2-ol
CID 135576464
1-[(E)-{2-[2-(benzylamino)-6-methylpyrimidin-3-ium-4-yl]hydrazinylidene}methyl]naphthalen-2-olate
CID 135549713
4-[[(6-Chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2841994
1-[[(4-Amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 4163298

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135401426) is 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is Nc1cc(Cl)nc(N/N=C/c2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is PBJPBRYDLCFTFX-QGMBQPNBSA-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)/b18-8+.
What are the key properties of 1-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(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-[(E)-[(4-amino-6-chloropyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135401426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).