6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C17H18N4 — CID 103144328

IUPAC6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cccc2ccncc12
InChIInChI=1S/C17H18N4/c1-10(2)17-20-15(11(3)16(18)21-17)13-6-4-5-12-7-8-19-9-14(12)13/h4-10H,1-3H3,(H2,18,20,21)
InChIKeyXIOQLZZPMCCUQV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.71
Rot. Bonds2

About 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 103144328) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID103144328
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cccc2ccncc12
InChIInChI=1S/C17H18N4/c1-10(2)17-20-15(11(3)16(18)21-17)13-6-4-5-12-7-8-19-9-14(12)13/h4-10H,1-3H3,(H2,18,20,21)
InChIKeyXIOQLZZPMCCUQV-UHFFFAOYSA-N
XLogP3.71
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
CID 103144312
6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977226
8-(6-bromo-2-propan-2-ylpyrimidin-4-yl)isoquinoline
CID 103144222
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80975371
6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144239
5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80976141
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine
CID 114049699
6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977446
2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
CID 136770406
6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 103144328) is 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1cccc2ccncc12.
What is the InChIKey of 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XIOQLZZPMCCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-10(2)17-20-15(11(3)16(18)21-17)13-6-4-5-12-7-8-19-9-14(12)13/h4-10H,1-3H3,(H2,18,20,21).
What are the key properties of 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103144328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).