6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C20H21N5O4 — CID 120733769

IUPAC6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C20H21N5O4/c1-24-17-14(18(26)23-20(24)28)9-12(10-22-17)19(27)25-8-7-21-11-15(25)13-5-3-4-6-16(13)29-2/h3-6,9-10,15,21H,7-8,11H2,1-2H3,(H,23,26,28)
InChIKeyHOGYXAVXYABASL-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.42
Rot. Bonds3

About 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 120733769) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID120733769
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C20H21N5O4/c1-24-17-14(18(26)23-20(24)28)9-12(10-22-17)19(27)25-8-7-21-11-15(25)13-5-3-4-6-16(13)29-2/h3-6,9-10,15,21H,7-8,11H2,1-2H3,(H,23,26,28)
InChIKeyHOGYXAVXYABASL-UHFFFAOYSA-N
XLogP0.42
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 120733769) is 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccccc1C1CNCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HOGYXAVXYABASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-24-17-14(18(26)23-20(24)28)9-12(10-22-17)19(27)25-8-7-21-11-15(25)13-5-3-4-6-16(13)29-2/h3-6,9-10,15,21H,7-8,11H2,1-2H3,(H,23,26,28).
What are the key properties of 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 395.42 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 120733769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).