[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine

C14H17N5 — CID 46507574

IUPAC[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H17N5/c1-10-8-13(18-15)17-14(16-10)19-7-6-11-4-2-3-5-12(11)9-19/h2-5,8H,6-7,9,15H2,1H3,(H,16,17,18)
InChIKeySHQPHBVUEKASFM-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.63
Rot. Bonds2

About [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 46507574) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
PubChem CID46507574
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H17N5/c1-10-8-13(18-15)17-14(16-10)19-7-6-11-4-2-3-5-12(11)9-19/h2-5,8H,6-7,9,15H2,1H3,(H,16,17,18)
InChIKeySHQPHBVUEKASFM-UHFFFAOYSA-N
XLogP1.63
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.63
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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112920508
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 112909262
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112920489
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112909449
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-amine
CID 112920523
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 112910704
2-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920315

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine (CID 46507574) is [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is SHQPHBVUEKASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-8-13(18-15)17-14(16-10)19-7-6-11-4-2-3-5-12(11)9-19/h2-5,8H,6-7,9,15H2,1H3,(H,16,17,18).
What are the key properties of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine?
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 255.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 46507574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).