6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C22H20N6O2 — CID 16666353

IUPAC6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3ccc(-c4cnco4)cc3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C22H20N6O2/c1-13-19(14(2)28-10-9-24-21(29)20(13)28)17-7-8-25-22(27-17)26-16-5-3-15(4-6-16)18-11-23-12-30-18/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyTZITVFCJYKFZRJ-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.70
Rot. Bonds4

About 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 16666353) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID16666353
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3ccc(-c4cnco4)cc3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C22H20N6O2/c1-13-19(14(2)28-10-9-24-21(29)20(13)28)17-7-8-25-22(27-17)26-16-5-3-15(4-6-16)18-11-23-12-30-18/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyTZITVFCJYKFZRJ-UHFFFAOYSA-N
XLogP3.70
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 16666353) is 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1c(-c2ccnc(Nc3ccc(-c4cnco4)cc3)n2)c(C)n2c1C(=O)NCC2.
What is the InChIKey of 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is TZITVFCJYKFZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-13-19(14(2)28-10-9-24-21(29)20(13)28)17-7-8-25-22(27-17)26-16-5-3-15(4-6-16)18-11-23-12-30-18/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)(H,25,26,27).
What are the key properties of 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 400.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-7-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 16666353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).