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

C22H22N8O — CID 16665877

IUPAC6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3ccc(-c4nncn4C)cc3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C22H22N8O/c1-13-18(14(2)30-11-10-23-21(31)19(13)30)17-8-9-24-22(27-17)26-16-6-4-15(5-7-16)20-28-25-12-29(20)3/h4-9,12H,10-11H2,1-3H3,(H,23,31)(H,24,26,27)
InChIKeyHZJLQFQWHQCMQG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.84
Rot. Bonds4

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

6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 16665877) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-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-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID16665877
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1c(-c2ccnc(Nc3ccc(-c4nncn4C)cc3)n2)c(C)n2c1C(=O)NCC2
InChIInChI=1S/C22H22N8O/c1-13-18(14(2)30-11-10-23-21(31)19(13)30)17-8-9-24-22(27-17)26-16-6-4-15(5-7-16)20-28-25-12-29(20)3/h4-9,12H,10-11H2,1-3H3,(H,23,31)(H,24,26,27)
InChIKeyHZJLQFQWHQCMQG-UHFFFAOYSA-N
XLogP2.84
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6,8-dimethyl-7-[2-[4-(1,2-oxazol-5-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665875
7-[2-[4-(3,5-dimethylpyrazol-1-yl)anilino]pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665878
2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide
CID 16665874
6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16666436
6,8-dimethyl-7-[2-[(2-oxo-1,3-dihydro-2-benzothiophen-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71200739
4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 59185793
N'-diazenyl-4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]benzenecarboximidamide
CID 163540957
4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]-N'-methanimidoylbenzenecarboximidamide
CID 143437608
7-[2-[3-methoxy-4-(methylamino)anilino]pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16665959
7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16666441
6,8-dimethyl-7-[2-(3-piperidin-1-ylsulfinylanilino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 143437614
6,8-dimethyl-7-[2-[3-(3-oxo-3-piperidin-1-ylpropyl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71200748

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-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-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 16665877) is 6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-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-(4-methyl-1,2,4-triazol-3-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-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1c(-c2ccnc(Nc3ccc(-c4nncn4C)cc3)n2)c(C)n2c1C(=O)NCC2.
What is the InChIKey of 6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HZJLQFQWHQCMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-13-18(14(2)30-11-10-23-21(31)19(13)30)17-8-9-24-22(27-17)26-16-6-4-15(5-7-16)20-28-25-12-29(20)3/h4-9,12H,10-11H2,1-3H3,(H,23,31)(H,24,26,27).
What are the key properties of 6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 414.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-7-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 16665877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).