1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol

C23H21N5O — CID 135549713

IUPAC1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(NCc2ccccc2)n1
InChIInChI=1S/C23H21N5O/c1-16-13-22(27-23(26-16)24-14-17-7-3-2-4-8-17)28-25-15-20-19-10-6-5-9-18(19)11-12-21(20)29/h2-13,15,29H,14H2,1H3,(H2,24,26,27,28)/b25-15+
InChIKeyCVUDZOLZXRMGPE-MFKUBSTISA-N
MW383.46 g/mol
LogP4.70
Rot. Bonds6

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

1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135549713) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135549713
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(NCc2ccccc2)n1
InChIInChI=1S/C23H21N5O/c1-16-13-22(27-23(26-16)24-14-17-7-3-2-4-8-17)28-25-15-20-19-10-6-5-9-18(19)11-12-21(20)29/h2-13,15,29H,14H2,1H3,(H2,24,26,27,28)/b25-15+
InChIKeyCVUDZOLZXRMGPE-MFKUBSTISA-N
XLogP4.70
TPSA82.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.70
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-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
1-[[(6-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890186
1-[(Pyridin-2-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 263867
1-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3099297
4-[2-[[2-(2,2-Diphenylethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 44532334
2-Hydroxy-1-naphthaldehyde (4-amino-6-chloro-2-pyrimidinyl)hydrazone
CID 135401426
(E)-2-(4-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-2-yl)phenol
CID 135443066
1-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-naphthalen-2-ol
CID 135443068
1-(4-Hydroxyphenyl)ethanone (2,6-diphenyl-4-pyrimidinyl)hydrazone
CID 135458768
2-[4-(N'-Benzylidene-hydrazino)-6-methyl-pyrimidin-2-yl]-phenol
CID 135498026
2-{[6-(3-Methyl-5-phenyl-pyrazol-1-yl)-pyrimidin-4-yl]-hydrazonomethyl}-phenol
CID 135498029

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 135549713) is 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol is Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(NCc2ccccc2)n1.
What is the InChIKey of 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is CVUDZOLZXRMGPE-MFKUBSTISA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-13-22(27-23(26-16)24-14-17-7-3-2-4-8-17)28-25-15-20-19-10-6-5-9-18(19)11-12-21(20)29/h2-13,15,29H,14H2,1H3,(H2,24,26,27,28)/b25-15+.
What are the key properties of 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 383.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135549713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).