2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine

C16H16N4 — CID 103144327

IUPAC2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cccc3ccncc23)n1
InChIInChI=1S/C16H16N4/c1-3-14-19-15(10(2)16(17)20-14)12-6-4-5-11-7-8-18-9-13(11)12/h4-9H,3H2,1-2H3,(H2,17,19,20)
InChIKeyWUQLMMHZTRVRJV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.14
Rot. Bonds2

About 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine

2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine (PubChem CID 103144327) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
PubChem CID103144327
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cccc3ccncc23)n1
InChIInChI=1S/C16H16N4/c1-3-14-19-15(10(2)16(17)20-14)12-6-4-5-11-7-8-18-9-13(11)12/h4-9H,3H2,1-2H3,(H2,17,19,20)
InChIKeyWUQLMMHZTRVRJV-UHFFFAOYSA-N
XLogP3.14
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144328
2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
CID 80992137
3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
CID 103144312
2-ethyl-5-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975340
2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
CID 136770406
2-ethyl-5-methyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80975669
6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 107514579
5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine
CID 114049699
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974700
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine (CID 103144327) is 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(-c2cccc3ccncc23)n1.
What is the InChIKey of 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine?
The InChIKey is WUQLMMHZTRVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-14-19-15(10(2)16(17)20-14)12-6-4-5-11-7-8-18-9-13(11)12/h4-9H,3H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine?
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103144327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).