6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C24H23N9O2 — CID 171978755

IUPAC6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(/C(C)=N\Nc2nc3nonc3nc2Nc2cccc(C)c2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C24H23N9O2/c1-13-8-7-11-17(12-13)26-20-21(29-23-22(28-20)32-35-33-23)31-30-15(3)18-14(2)25-24(34)27-19(18)16-9-5-4-6-10-16/h4-12,19H,1-3H3,(H2,25,27,34)(H,26,28,32)(H,29,31,33)/b30-15-
InChIKeyBVPOLVSTJLXQNB-MNDYBZJGSA-N
MW469.51 g/mol
LogP4.18
Rot. Bonds6

About 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 171978755) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID171978755
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(/C(C)=N\Nc2nc3nonc3nc2Nc2cccc(C)c2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C24H23N9O2/c1-13-8-7-11-17(12-13)26-20-21(29-23-22(28-20)32-35-33-23)31-30-15(3)18-14(2)25-24(34)27-19(18)16-9-5-4-6-10-16/h4-12,19H,1-3H3,(H2,25,27,34)(H,26,28,32)(H,29,31,33)/b30-15-
InChIKeyBVPOLVSTJLXQNB-MNDYBZJGSA-N
XLogP4.18
TPSA142.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 171978755) is 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(/C(C)=N\Nc2nc3nonc3nc2Nc2cccc(C)c2)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is BVPOLVSTJLXQNB-MNDYBZJGSA-N. The full InChI is InChI=1S/C24H23N9O2/c1-13-8-7-11-17(12-13)26-20-21(29-23-22(28-20)32-35-33-23)31-30-15(3)18-14(2)25-24(34)27-19(18)16-9-5-4-6-10-16/h4-12,19H,1-3H3,(H2,25,27,34)(H,26,28,32)(H,29,31,33)/b30-15-.
What are the key properties of 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 469.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 171978755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).