4-isoquinolin-8-yl-6-methylpyrimidin-2-amine

C14H12N4 — CID 103144263

IUPAC4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cccc3ccncc23)nc(N)n1
InChIInChI=1S/C14H12N4/c1-9-7-13(18-14(15)17-9)11-4-2-3-10-5-6-16-8-12(10)11/h2-8H,1H3,(H2,15,17,18)
InChIKeyKVRHNGIHVXWQFB-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.58
Rot. Bonds1

About 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine

4-isoquinolin-8-yl-6-methylpyrimidin-2-amine (PubChem CID 103144263) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
PubChem CID103144263
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cccc3ccncc23)nc(N)n1
InChIInChI=1S/C14H12N4/c1-9-7-13(18-14(15)17-9)11-4-2-3-10-5-6-16-8-12(10)11/h2-8H,1H3,(H2,15,17,18)
InChIKeyKVRHNGIHVXWQFB-UHFFFAOYSA-N
XLogP2.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
CID 103144312
8-(6-bromo-2-propan-2-ylpyrimidin-4-yl)isoquinoline
CID 103144222
4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine
CID 119062339
6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144239
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
8-(2-fluoro-4-methylphenyl)isoquinoline
CID 90260610
4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane
CID 163247902
4-isoquinolin-8-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770401
8-phenanthren-9-ylisoquinoline
CID 171383107
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332
6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144328

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine (CID 103144263) is 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine is Cc1cc(-c2cccc3ccncc23)nc(N)n1.
What is the InChIKey of 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine?
The InChIKey is KVRHNGIHVXWQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-7-13(18-14(15)17-9)11-4-2-3-10-5-6-16-8-12(10)11/h2-8H,1H3,(H2,15,17,18).
What are the key properties of 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine?
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-8-yl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 103144263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).