5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C20H20N6O4 — CID 90517045

IUPAC5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)CC3)ncn2)cc1
InChIInChI=1S/C20H20N6O4/c1-30-14-4-2-13(3-5-14)16-10-17(23-12-22-16)25-6-8-26(9-7-25)19(28)15-11-21-20(29)24-18(15)27/h2-5,10-12H,6-9H2,1H3,(H2,21,24,27,29)
InChIKeyABDIQPKGAWRXSN-UHFFFAOYSA-N
MW408.42 g/mol
LogP0.49
Rot. Bonds4

About 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 90517045) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID90517045
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)CC3)ncn2)cc1
InChIInChI=1S/C20H20N6O4/c1-30-14-4-2-13(3-5-14)16-10-17(23-12-22-16)25-6-8-26(9-7-25)19(28)15-11-21-20(29)24-18(15)27/h2-5,10-12H,6-9H2,1H3,(H2,21,24,27,29)
InChIKeyABDIQPKGAWRXSN-UHFFFAOYSA-N
XLogP0.49
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-3-yl-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517017
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 90516890
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
(3,5-dimethylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90516881
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
(4-tert-butylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840699
(6-ethoxypyrimidin-4-yl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121167730
(2-anilinophenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517050
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
2-ethyl-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 90516855
2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 90517016
5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121058350

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 90517045) is 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is COc1ccc(-c2cc(N3CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)CC3)ncn2)cc1.
What is the InChIKey of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ABDIQPKGAWRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-30-14-4-2-13(3-5-14)16-10-17(23-12-22-16)25-6-8-26(9-7-25)19(28)15-11-21-20(29)24-18(15)27/h2-5,10-12H,6-9H2,1H3,(H2,21,24,27,29).
What are the key properties of 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 408.42 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90517045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).