6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C22H24N6O3 — CID 122332650

IUPAC6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cn1
InChIInChI=1S/C22H24N6O3/c1-16-12-21(29)28(15-23-16)14-22(30)27-10-8-26(9-11-27)19-13-20(25-17(2)24-19)31-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeyCWBQKXBMAJHZOT-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.79
Rot. Bonds5

About 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122332650) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID122332650
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cn1
InChIInChI=1S/C22H24N6O3/c1-16-12-21(29)28(15-23-16)14-22(30)27-10-8-26(9-11-27)19-13-20(25-17(2)24-19)31-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeyCWBQKXBMAJHZOT-UHFFFAOYSA-N
XLogP1.79
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122332651
3,3,3-trifluoro-1-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122332633
6-methyl-3-[2-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122333139
[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 122332488
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
(2,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035088
(3,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035067
(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473437
6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347229
(5-methyl-1,2-oxazol-3-yl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332554
(5-bromo-3-pyridinyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332518

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122332650) is 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cn1.
What is the InChIKey of 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is CWBQKXBMAJHZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-16-12-21(29)28(15-23-16)14-22(30)27-10-8-26(9-11-27)19-13-20(25-17(2)24-19)31-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 420.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122332650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).