6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine

C17H19N5O3 — CID 11279278

IUPAC6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1OC
InChIInChI=1S/C17H19N5O3/c1-9(2)25-16-14-15(21-17(18)22-16)19-8-11(20-14)10-5-6-12(23-3)13(7-10)24-4/h5-9H,1-4H3,(H2,18,19,21,22)
InChIKeyGKGIEVXHNMCOTB-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.47
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine

6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine (PubChem CID 11279278) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine
PubChem CID11279278
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1OC
InChIInChI=1S/C17H19N5O3/c1-9(2)25-16-14-15(21-17(18)22-16)19-8-11(20-14)10-5-6-12(23-3)13(7-10)24-4/h5-9H,1-4H3,(H2,18,19,21,22)
InChIKeyGKGIEVXHNMCOTB-UHFFFAOYSA-N
XLogP2.47
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine (CID 11279278) is 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The InChIKey is GKGIEVXHNMCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9(2)25-16-14-15(21-17(18)22-16)19-8-11(20-14)10-5-6-12(23-3)13(7-10)24-4/h5-9H,1-4H3,(H2,18,19,21,22).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine has a molecular weight of 341.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11279278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).