1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol

C17H16N4O — CID 171716346

IUPAC1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol
SMILESCc1cc(C)nc(C(=NN)c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C17H16N4O/c1-10-9-11(2)20-17(19-10)16(21-18)15-13-6-4-3-5-12(13)7-8-14(15)22/h3-9,22H,18H2,1-2H3
InChIKeyPAJYNRNJKSVPQU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.66
Rot. Bonds2

About 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol

1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol (PubChem CID 171716346) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol
PubChem CID171716346
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol
SMILESCc1cc(C)nc(C(=NN)c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C17H16N4O/c1-10-9-11(2)20-17(19-10)16(21-18)15-13-6-4-3-5-12(13)7-8-14(15)22/h3-9,22H,18H2,1-2H3
InChIKeyPAJYNRNJKSVPQU-UHFFFAOYSA-N
XLogP2.66
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
1-[[(6-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890186
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-Methyl-2-(2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl)phenol
CID 1069571
1-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3099297
4-[(2,4-Diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]phenol;hydrochloride
CID 44531522
1-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-naphthalen-2-ol
CID 135443068
3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol
CID 123380937
2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol
CID 127024670
4-{1-[(2,6-Diphenyl-pyrimidin-4-yl)-hydrazono]-ethyl}-2-methyl-phenol
CID 135458769
1-Phenylethanone [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl]hydrazone
CID 135460419
3-(2-Amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol
CID 155538966

Frequently Asked Questions

What is the IUPAC name of 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol?
The IUPAC name of 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol (CID 171716346) is 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol.
What is the SMILES notation for 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol?
The canonical SMILES for 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol is Cc1cc(C)nc(C(=NN)c2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol?
The InChIKey is PAJYNRNJKSVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-10-9-11(2)20-17(19-10)16(21-18)15-13-6-4-3-5-12(13)7-8-14(15)22/h3-9,22H,18H2,1-2H3.
What are the key properties of 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol?
1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol has a molecular weight of 292.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[C-(4,6-dimethylpyrimidin-2-yl)carbonohydrazonoyl]naphthalen-2-ol is sourced from PubChem (CID 171716346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).