6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine

C17H18N4 — CID 103144239

IUPAC6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc3ccncc23)nc(C(C)C)n1
InChIInChI=1S/C17H18N4/c1-11(2)17-20-15(9-16(18-3)21-17)13-6-4-5-12-7-8-19-10-14(12)13/h4-11H,1-3H3,(H,18,20,21)
InChIKeyORLNNEGFGKHKBV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.86
Rot. Bonds3

About 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 103144239) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID103144239
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc3ccncc23)nc(C(C)C)n1
InChIInChI=1S/C17H18N4/c1-11(2)17-20-15(9-16(18-3)21-17)13-6-4-5-12-7-8-19-10-14(12)13/h4-11H,1-3H3,(H,18,20,21)
InChIKeyORLNNEGFGKHKBV-UHFFFAOYSA-N
XLogP3.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(6-bromo-2-propan-2-ylpyrimidin-4-yl)isoquinoline
CID 103144222
6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144328
N-ethyl-6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952791
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263
1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
CID 103143946
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 116546243
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952028
8-phenanthren-9-ylisoquinoline
CID 171383107
5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine
CID 103144237

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 103144239) is 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-c2cccc3ccncc23)nc(C(C)C)n1.
What is the InChIKey of 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ORLNNEGFGKHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11(2)17-20-15(9-16(18-3)21-17)13-6-4-5-12-7-8-19-10-14(12)13/h4-11H,1-3H3,(H,18,20,21).
What are the key properties of 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103144239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).