[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone

C19H19N5O — CID 124959844

IUPAC[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2Cc3ncc(C)n3C[C@@H]2c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c1-13-10-21-18-12-24(19(25)16-8-9-20-14(2)22-16)17(11-23(13)18)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyGQEBNXNNOUEFIN-QGZVFWFLSA-N
MW333.40 g/mol
LogP2.69
Rot. Bonds2

About [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone

[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 124959844) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID124959844
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2Cc3ncc(C)n3C[C@@H]2c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c1-13-10-21-18-12-24(19(25)16-8-9-20-14(2)22-16)17(11-23(13)18)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyGQEBNXNNOUEFIN-QGZVFWFLSA-N
XLogP2.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone (CID 124959844) is [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2Cc3ncc(C)n3C[C@@H]2c2ccccc2)n1.
What is the InChIKey of [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is GQEBNXNNOUEFIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-10-21-18-12-24(19(25)16-8-9-20-14(2)22-16)17(11-23(13)18)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone?
[(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-3-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 124959844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).