5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine

C21H22N8O2 — CID 118213413

IUPAC5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cn3nc(COCc4ccccc4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H22N8O2/c22-21-23-10-16(11-24-21)17-12-29-20(19(25-17)28-6-8-30-9-7-28)26-18(27-29)14-31-13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2,(H2,22,23,24)
InChIKeyIITVFKJUEGQZCR-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.72
Rot. Bonds6

About 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine

5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine (PubChem CID 118213413) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
PubChem CID118213413
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cn3nc(COCc4ccccc4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H22N8O2/c22-21-23-10-16(11-24-21)17-12-29-20(19(25-17)28-6-8-30-9-7-28)26-18(27-29)14-31-13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2,(H2,22,23,24)
InChIKeyIITVFKJUEGQZCR-UHFFFAOYSA-N
XLogP1.72
TPSA116.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067946
N-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]benzamide
CID 175883788
5-(2-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067938
4-(3-methyl-6-phenylimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 90084217
5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 67294692
5-[5-[(4-methoxyphenyl)methyl]-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 52917607
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54670188
6-(2-aminopyrimidin-5-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70694722
5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)pyrimidin-2-amine
CID 146173263
cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane
CID 162374338
methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate
CID 52917086

Frequently Asked Questions

What is the IUPAC name of 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine (CID 118213413) is 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine is Nc1ncc(-c2cn3nc(COCc4ccccc4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
The InChIKey is IITVFKJUEGQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c22-21-23-10-16(11-24-21)17-12-29-20(19(25-17)28-6-8-30-9-7-28)26-18(27-29)14-31-13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2,(H2,22,23,24).
What are the key properties of 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine has a molecular weight of 418.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 118213413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).