4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine

C19H15FN6O — CID 10286969

IUPAC4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1
InChIInChI=1S/C19H15FN6O/c20-14-8-12(24-18-9-17(21)25-19(22)26-18)4-5-16(14)27-15-3-1-2-11-10-23-7-6-13(11)15/h1-10H,(H5,21,22,24,25,26)
InChIKeyUBSJTMIKLCURGP-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.86
Rot. Bonds4

About 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine

4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine (PubChem CID 10286969) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine
PubChem CID10286969
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1
InChIInChI=1S/C19H15FN6O/c20-14-8-12(24-18-9-17(21)25-19(22)26-18)4-5-16(14)27-15-3-1-2-11-10-23-7-6-13(11)15/h1-10H,(H5,21,22,24,25,26)
InChIKeyUBSJTMIKLCURGP-UHFFFAOYSA-N
XLogP3.86
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 5329484
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CID 712152
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CID 877998
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CID 5328062
CID 5328062
CID 5328186
CID 5328186
CID 6481089
CID 6481089
CID 9926999
CID 9926999
CID 9976219
CID 9976219
CID 10384316
CID 10384316
CID 10406636
CID 10406636
CID 10429017
CID 10429017
CID 17754398
CID 17754398

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine (CID 10286969) is 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine is Nc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1.
What is the InChIKey of 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is UBSJTMIKLCURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-14-8-12(24-18-9-17(21)25-19(22)26-18)4-5-16(14)27-15-3-1-2-11-10-23-7-6-13(11)15/h1-10H,(H5,21,22,24,25,26).
What are the key properties of 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine?
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 362.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 10286969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).