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1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol

C19H25N7O2 — CID 122184953

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C19H25N7O2/c1-12(2)16(27)9-14-3-4-15-18(25-5-7-28-8-6-25)23-17(24-26(14)15)13-10-21-19(20)22-11-13/h3-4,10-12,16,27H,5-9H2,1-2H3,(H2,20,21,22)
InChIKeyBQBPIAJZHHFQJV-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.16
Rot. Bonds5

About 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol

1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol (PubChem CID 122184953) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol
PubChem CID122184953
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C19H25N7O2/c1-12(2)16(27)9-14-3-4-15-18(25-5-7-28-8-6-25)23-17(24-26(14)15)13-10-21-19(20)22-11-13/h3-4,10-12,16,27H,5-9H2,1-2H3,(H2,20,21,22)
InChIKeyBQBPIAJZHHFQJV-UHFFFAOYSA-N
XLogP1.16
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol (CID 122184953) is 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol is CC(C)C(O)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.
What is the InChIKey of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol?
The InChIKey is BQBPIAJZHHFQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-12(2)16(27)9-14-3-4-15-18(25-5-7-28-8-6-25)23-17(24-26(14)15)13-10-21-19(20)22-11-13/h3-4,10-12,16,27H,5-9H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol?
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol has a molecular weight of 383.46 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 122184953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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