2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C26H27N7O — CID 59185823

IUPAC2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCCN1CCn2c(C)c(-c3ccnc(Nc4cccc(-c5ccnc(C)n5)c4)n3)c(C)c2C1=O
InChIInChI=1S/C26H27N7O/c1-5-32-13-14-33-17(3)23(16(2)24(33)25(32)34)22-10-12-28-26(31-22)30-20-8-6-7-19(15-20)21-9-11-27-18(4)29-21/h6-12,15H,5,13-14H2,1-4H3,(H,28,30,31)
InChIKeyJNYLRVNIHMDJIW-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.55
Rot. Bonds5

About 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 59185823) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID59185823
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCCN1CCn2c(C)c(-c3ccnc(Nc4cccc(-c5ccnc(C)n5)c4)n3)c(C)c2C1=O
InChIInChI=1S/C26H27N7O/c1-5-32-13-14-33-17(3)23(16(2)24(33)25(32)34)22-10-12-28-26(31-22)30-20-8-6-7-19(15-20)21-9-11-27-18(4)29-21/h6-12,15H,5,13-14H2,1-4H3,(H,28,30,31)
InChIKeyJNYLRVNIHMDJIW-UHFFFAOYSA-N
XLogP4.55
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

7-[2-(3-benzoylanilino)pyrimidin-4-yl]-6,8-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 16666441
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
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
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
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
N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide
CID 16665425
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
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
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
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 59185823) is 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is CCN1CCn2c(C)c(-c3ccnc(Nc4cccc(-c5ccnc(C)n5)c4)n3)c(C)c2C1=O.
What is the InChIKey of 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is JNYLRVNIHMDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-5-32-13-14-33-17(3)23(16(2)24(33)25(32)34)22-10-12-28-26(31-22)30-20-8-6-7-19(15-20)21-9-11-27-18(4)29-21/h6-12,15H,5,13-14H2,1-4H3,(H,28,30,31).
What are the key properties of 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 453.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-dimethyl-7-[2-[3-(2-methylpyrimidin-4-yl)anilino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 59185823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).