6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine

C18H20N6O3 — CID 11176099

IUPAC6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1OC
InChIInChI=1S/C18H20N6O3/c1-25-13-4-3-11(9-14(13)26-2)12-10-20-16-15(21-12)17(23-18(19)22-16)24-5-7-27-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,22,23)
InChIKeyHVEFHFRQFIEMJV-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.52
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine

6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 11176099) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID11176099
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1OC
InChIInChI=1S/C18H20N6O3/c1-25-13-4-3-11(9-14(13)26-2)12-10-20-16-15(21-12)17(23-18(19)22-16)24-5-7-27-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,22,23)
InChIKeyHVEFHFRQFIEMJV-UHFFFAOYSA-N
XLogP1.52
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine (CID 11176099) is 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is HVEFHFRQFIEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-25-13-4-3-11(9-14(13)26-2)12-10-20-16-15(21-12)17(23-18(19)22-16)24-5-7-27-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 368.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 11176099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).