1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione

C27H27N5O3 — CID 27558243

IUPAC1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H27N5O3/c33-24(30-18-16-29(17-19-30)22-10-5-2-6-11-22)20-32-23-12-7-14-28-25(23)26(34)31(27(32)35)15-13-21-8-3-1-4-9-21/h1-12,14H,13,15-20H2
InChIKeyRFQLOBIZUUAQGE-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.15
Rot. Bonds6

About 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione

1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 27558243) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID27558243
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H27N5O3/c33-24(30-18-16-29(17-19-30)22-10-5-2-6-11-22)20-32-23-12-7-14-28-25(23)26(34)31(27(32)35)15-13-21-8-3-1-4-9-21/h1-12,14H,13,15-20H2
InChIKeyRFQLOBIZUUAQGE-UHFFFAOYSA-N
XLogP2.15
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951990
3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569481
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505529
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
ethyl 4-[2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]piperazine-1-carboxylate
CID 41240392
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240709
N-(2,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569554
N-(1,3-benzodioxol-5-ylmethyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240654
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione (CID 27558243) is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RFQLOBIZUUAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c33-24(30-18-16-29(17-19-30)22-10-5-2-6-11-22)20-32-23-12-7-14-28-25(23)26(34)31(27(32)35)15-13-21-8-3-1-4-9-21/h1-12,14H,13,15-20H2.
What are the key properties of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 469.55 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 27558243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).