N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine

C15H16N6 — CID 80930024

IUPACN-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
SMILESCc1nc(NN)c(C)c(Nc2cccc3ccncc23)n1
InChIInChI=1S/C15H16N6/c1-9-14(18-10(2)19-15(9)21-16)20-13-5-3-4-11-6-7-17-8-12(11)13/h3-8H,16H2,1-2H3,(H2,18,19,20,21)
InChIKeyBLBKSHQNPPKOJM-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.67
Rot. Bonds3

About N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine

N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine (PubChem CID 80930024) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
PubChem CID80930024
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
SMILESCc1nc(NN)c(C)c(Nc2cccc3ccncc23)n1
InChIInChI=1S/C15H16N6/c1-9-14(18-10(2)19-15(9)21-16)20-13-5-3-4-11-6-7-17-8-12(11)13/h3-8H,16H2,1-2H3,(H2,18,19,20,21)
InChIKeyBLBKSHQNPPKOJM-UHFFFAOYSA-N
XLogP2.67
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
CID 80992137
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
CID 80851740
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine
CID 115474338
6-hydrazinyl-2,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114958033
N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80920659
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872
N-propylisoquinolin-8-amine
CID 54033424
2-N-isoquinolin-8-yl-3-nitropyridine-2,6-diamine
CID 80840181
2,6-dichloro-1-N-isoquinolin-8-ylbenzene-1,4-diamine
CID 106890617

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine?
The IUPAC name of N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine (CID 80930024) is N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine?
The canonical SMILES for N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine is Cc1nc(NN)c(C)c(Nc2cccc3ccncc23)n1.
What is the InChIKey of N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine?
The InChIKey is BLBKSHQNPPKOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-9-14(18-10(2)19-15(9)21-16)20-13-5-3-4-11-6-7-17-8-12(11)13/h3-8H,16H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine?
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine has a molecular weight of 280.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 80930024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).