N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine

C13H14ClN5 — CID 80898548

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(NCC2Cc3ccccc32)n1
InChIInChI=1S/C13H14ClN5/c14-11-7-17-13(19-15)18-12(11)16-6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6,15H2,(H2,16,17,18,19)
InChIKeyANBQFQYMJIXZLY-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.17
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80898548) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
PubChem CID80898548
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(NCC2Cc3ccccc32)n1
InChIInChI=1S/C13H14ClN5/c14-11-7-17-13(19-15)18-12(11)16-6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6,15H2,(H2,16,17,18,19)
InChIKeyANBQFQYMJIXZLY-UHFFFAOYSA-N
XLogP2.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine with MolForge

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Related Compounds

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80789437
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 80790072
5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 80917435
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898756
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)quinazoline-2,4-diamine
CID 80776084
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,5-dichloroaniline
CID 66419083
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80788757
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine (CID 80898548) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Cl)c(NCC2Cc3ccccc32)n1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is ANBQFQYMJIXZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-11-7-17-13(19-15)18-12(11)16-6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6,15H2,(H2,16,17,18,19).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 275.74 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80898548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).