5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine

C15H13N5 — CID 17019849

IUPAC5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
SMILESNc1ncc(/C=N/Nc2ccc3ccccc3c2)cn1
InChIInChI=1S/C15H13N5/c16-15-17-8-11(9-18-15)10-19-20-14-6-5-12-3-1-2-4-13(12)7-14/h1-10,20H,(H2,16,17,18)/b19-10+
InChIKeyCQEFRJPVHWQROW-VXLYETTFSA-N
MW263.30 g/mol
LogP2.66
Rot. Bonds3

About 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine

5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine (PubChem CID 17019849) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
PubChem CID17019849
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
SMILESNc1ncc(/C=N/Nc2ccc3ccccc3c2)cn1
InChIInChI=1S/C15H13N5/c16-15-17-8-11(9-18-15)10-19-20-14-6-5-12-3-1-2-4-13(12)7-14/h1-10,20H,(H2,16,17,18)/b19-10+
InChIKeyCQEFRJPVHWQROW-VXLYETTFSA-N
XLogP2.66
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
CID 4152799
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
5-naphthalen-2-ylpyrimidin-2-amine
CID 139194225
[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 6266025
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
2-N-naphthalen-2-ylpyrazine-2,6-diamine
CID 80647570
4-N-naphthalen-2-ylpyrimidine-4,5-diamine
CID 79917712
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016126
N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23015730

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine?
The IUPAC name of 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine (CID 17019849) is 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine is Nc1ncc(/C=N/Nc2ccc3ccccc3c2)cn1.
What is the InChIKey of 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine?
The InChIKey is CQEFRJPVHWQROW-VXLYETTFSA-N. The full InChI is InChI=1S/C15H13N5/c16-15-17-8-11(9-18-15)10-19-20-14-6-5-12-3-1-2-4-13(12)7-14/h1-10,20H,(H2,16,17,18)/b19-10+.
What are the key properties of 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine?
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine is sourced from PubChem (CID 17019849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).