azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone

C13H21N5O — CID 114220533

IUPACazocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCCCC2)nc(NN)n1
InChIInChI=1S/C13H21N5O/c1-10-9-11(16-13(15-10)17-14)12(19)18-7-5-3-2-4-6-8-18/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyKIBFXUAWJKIYKZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds2

About azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone

azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone (PubChem CID 114220533) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
PubChem CID114220533
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Nameazocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCCCC2)nc(NN)n1
InChIInChI=1S/C13H21N5O/c1-10-9-11(16-13(15-10)17-14)12(19)18-7-5-3-2-4-6-8-18/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyKIBFXUAWJKIYKZ-UHFFFAOYSA-N
XLogP1.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321261
azepan-1-yl-[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334510
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 102538212
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
[2-(2,6-dichloroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321897
[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322449
[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322458
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866
[2-(3,4-difluoroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321909
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322479
[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321880

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone?
The IUPAC name of azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone (CID 114220533) is azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone?
The canonical SMILES for azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCCCCCC2)nc(NN)n1.
What is the InChIKey of azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone?
The InChIKey is KIBFXUAWJKIYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-9-11(16-13(15-10)17-14)12(19)18-7-5-3-2-4-6-8-18/h9H,2-8,14H2,1H3,(H,15,16,17).
What are the key properties of azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone?
azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 114220533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).