4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C27H29N5O3 — CID 122332538

IUPAC4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4cc(Oc5ccccc5)nc(C)n4)CC3)CC2=O)cc1
InChIInChI=1S/C27H29N5O3/c1-19-8-10-22(11-9-19)32-18-21(16-26(32)33)27(34)31-14-12-30(13-15-31)24-17-25(29-20(2)28-24)35-23-6-4-3-5-7-23/h3-11,17,21H,12-16,18H2,1-2H3
InChIKeyACWFYPJURJDKEF-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.59
Rot. Bonds5

About 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 122332538) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID122332538
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4cc(Oc5ccccc5)nc(C)n4)CC3)CC2=O)cc1
InChIInChI=1S/C27H29N5O3/c1-19-8-10-22(11-9-19)32-18-21(16-26(32)33)27(34)31-14-12-30(13-15-31)24-17-25(29-20(2)28-24)35-23-6-4-3-5-7-23/h3-11,17,21H,12-16,18H2,1-2H3
InChIKeyACWFYPJURJDKEF-UHFFFAOYSA-N
XLogP3.59
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-fluorophenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332541
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332539
1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122337980
1-(3,4-dimethylphenyl)-4-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332252
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122342387
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108731260
4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108741906
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
1-(1,3-benzodioxol-5-yl)-4-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108736983
4-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122333770

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 122332538) is 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCN(c4cc(Oc5ccccc5)nc(C)n4)CC3)CC2=O)cc1.
What is the InChIKey of 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is ACWFYPJURJDKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-19-8-10-22(11-9-19)32-18-21(16-26(32)33)27(34)31-14-12-30(13-15-31)24-17-25(29-20(2)28-24)35-23-6-4-3-5-7-23/h3-11,17,21H,12-16,18H2,1-2H3.
What are the key properties of 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 471.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122332538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).