6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone

C14H17N5O — CID 119073073

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1nccc(C(=O)N2CCn3cncc3C2)n1
InChIInChI=1S/C14H17N5O/c1-10(2)13-16-4-3-12(17-13)14(20)18-5-6-19-9-15-7-11(19)8-18/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyAYYDIDUNPOANNO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.45
Rot. Bonds2

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 119073073) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID119073073
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1nccc(C(=O)N2CCn3cncc3C2)n1
InChIInChI=1S/C14H17N5O/c1-10(2)13-16-4-3-12(17-13)14(20)18-5-6-19-9-15-7-11(19)8-18/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyAYYDIDUNPOANNO-UHFFFAOYSA-N
XLogP1.45
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone (CID 119073073) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1nccc(C(=O)N2CCn3cncc3C2)n1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is AYYDIDUNPOANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(2)13-16-4-3-12(17-13)14(20)18-5-6-19-9-15-7-11(19)8-18/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-(2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 119073073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).