4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine

C16H16N4O — CID 119062339

IUPAC4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(-c2cccc3cnccc23)nc(N)n1
InChIInChI=1S/C16H16N4O/c1-10(2)21-15-8-14(19-16(17)20-15)13-5-3-4-11-9-18-7-6-12(11)13/h3-10H,1-2H3,(H2,17,19,20)
InChIKeyRZNVMGRZGPYHDS-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.06
Rot. Bonds3

About 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine

4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 119062339) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID119062339
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(-c2cccc3cnccc23)nc(N)n1
InChIInChI=1S/C16H16N4O/c1-10(2)21-15-8-14(19-16(17)20-15)13-5-3-4-11-9-18-7-6-12(11)13/h3-10H,1-2H3,(H2,17,19,20)
InChIKeyRZNVMGRZGPYHDS-UHFFFAOYSA-N
XLogP3.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263
2-isoquinolin-5-ylaniline
CID 62812627
5-(3-chlorophenyl)isoquinoline
CID 23602252
6-isoquinolin-5-ylpyridin-3-ol
CID 83128969
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119
3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine
CID 23467736
ethane;isoquinolin-5-amine
CID 143675367
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
5-isoquinolin-5-ylthiophen-2-amine
CID 164918805
5-pyrimidin-5-ylisoquinoline
CID 141337488
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine (CID 119062339) is 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1cc(-c2cccc3cnccc23)nc(N)n1.
What is the InChIKey of 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is RZNVMGRZGPYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10(2)21-15-8-14(19-16(17)20-15)13-5-3-4-11-9-18-7-6-12(11)13/h3-10H,1-2H3,(H2,17,19,20).
What are the key properties of 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine?
4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 119062339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).