2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C21H26N4O3 — CID 135637769

IUPAC2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccccc1C1CC(=O)Nc2nc(N3CC(C)CC(C)C3)[nH]c(=O)c21
InChIInChI=1S/C21H26N4O3/c1-12-8-13(2)11-25(10-12)21-23-19-18(20(27)24-21)15(9-17(26)22-19)14-6-4-5-7-16(14)28-3/h4-7,12-13,15H,8-11H2,1-3H3,(H2,22,23,24,26,27)
InChIKeyMKKYUTHEPGFYCW-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.73
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637769) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637769
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccccc1C1CC(=O)Nc2nc(N3CC(C)CC(C)C3)[nH]c(=O)c21
InChIInChI=1S/C21H26N4O3/c1-12-8-13(2)11-25(10-12)21-23-19-18(20(27)24-21)15(9-17(26)22-19)14-6-4-5-7-16(14)28-3/h4-7,12-13,15H,8-11H2,1-3H3,(H2,22,23,24,26,27)
InChIKeyMKKYUTHEPGFYCW-UHFFFAOYSA-N
XLogP2.73
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426790
2-[4-(2-methoxyphenyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136268378
2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594436
5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 3162456
2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 155535415
5-amino-3-dodecyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299377
2-amino-5-(3-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472147
2-Amino-5-(3-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550455
2-Amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550456
4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3',2'-e]pyrimidine-2,5(1H)-dione
CID 5297283
4-(2,3-dimethoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3',2'-e]pyrimidine-2,5(1H)-dione
CID 5299092
5-(2-Isopropoxyphenyl)-1-methyl-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-D]pyrimidine-4,7(1H,6H)-dione
CID 16014775

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637769) is 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1ccccc1C1CC(=O)Nc2nc(N3CC(C)CC(C)C3)[nH]c(=O)c21.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MKKYUTHEPGFYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-8-13(2)11-25(10-12)21-23-19-18(20(27)24-21)15(9-17(26)22-19)14-6-4-5-7-16(14)28-3/h4-7,12-13,15H,8-11H2,1-3H3,(H2,22,23,24,26,27).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 382.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-5-(2-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).