4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one

C25H28N4O2 — CID 135890605

IUPAC4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-18-21(25(31)27-24(26-18)20-11-7-4-8-12-20)13-14-23(30)29-16-15-28(2)17-22(29)19-9-5-3-6-10-19/h3-12,22H,13-17H2,1-2H3,(H,26,27,31)/t22-/m0/s1
InChIKeyLXCITDCWSBDZKI-QFIPXVFZSA-N
MW416.53 g/mol
LogP3.19
Rot. Bonds5

About 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one

4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135890605) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one
PubChem CID135890605
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-18-21(25(31)27-24(26-18)20-11-7-4-8-12-20)13-14-23(30)29-16-15-28(2)17-22(29)19-9-5-3-6-10-19/h3-12,22H,13-17H2,1-2H3,(H,26,27,31)/t22-/m0/s1
InChIKeyLXCITDCWSBDZKI-QFIPXVFZSA-N
XLogP3.19
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 137303622
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51926980
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 37334143
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622779
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137316825
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 25493290
4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136532660
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one (CID 135890605) is 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one is Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1.
What is the InChIKey of 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is LXCITDCWSBDZKI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-21(25(31)27-24(26-18)20-11-7-4-8-12-20)13-14-23(30)29-16-15-28(2)17-22(29)19-9-5-3-6-10-19/h3-12,22H,13-17H2,1-2H3,(H,26,27,31)/t22-/m0/s1.
What are the key properties of 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one?
4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 416.53 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135890605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).