5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine

C20H24FN5O — CID 165381093

IUPAC5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine
SMILESCOc1ccc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C20H24FN5O/c1-19(2,21)18-23-9-8-16(26-18)25-17-10-12-13(11-24-17)15(27-5)7-6-14(12)20(3,4)22/h6-11H,22H2,1-5H3,(H,23,24,25,26)
InChIKeyVVIHTMHKSFGRHR-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.18
Rot. Bonds5

About 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine

5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine (PubChem CID 165381093) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine
PubChem CID165381093
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine
SMILESCOc1ccc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C20H24FN5O/c1-19(2,21)18-23-9-8-16(26-18)25-17-10-12-13(11-24-17)15(27-5)7-6-14(12)20(3,4)22/h6-11H,22H2,1-5H3,(H,23,24,25,26)
InChIKeyVVIHTMHKSFGRHR-UHFFFAOYSA-N
XLogP4.18
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine?
The IUPAC name of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine (CID 165381093) is 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine?
The canonical SMILES for 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine is COc1ccc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12.
What is the InChIKey of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine?
The InChIKey is VVIHTMHKSFGRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-19(2,21)18-23-9-8-16(26-18)25-17-10-12-13(11-24-17)15(27-5)7-6-14(12)20(3,4)22/h6-11H,22H2,1-5H3,(H,23,24,25,26).
What are the key properties of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine?
5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine has a molecular weight of 369.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine is sourced from PubChem (CID 165381093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).