6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine

C20H23N7O3 — CID 59507470

IUPAC6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26)
InChIKeyAAKJGXGPYVKGQA-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.11
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine

6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 59507470) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID59507470
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26)
InChIKeyAAKJGXGPYVKGQA-UHFFFAOYSA-N
XLogP2.11
TPSA120.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 59507470) is 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is AAKJGXGPYVKGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 409.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).