5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione

C21H25N3O3 — CID 145017403

IUPAC5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(Cc3ccccc3)c(OC(C)C)cnc2n(C)c1=O
InChIInChI=1S/C21H25N3O3/c1-5-11-24-20(25)18-16(12-15-9-7-6-8-10-15)17(27-14(2)3)13-22-19(18)23(4)21(24)26/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyIPXBVNGWWZHOJK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.88
Rot. Bonds6

About 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione

5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 145017403) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID145017403
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(Cc3ccccc3)c(OC(C)C)cnc2n(C)c1=O
InChIInChI=1S/C21H25N3O3/c1-5-11-24-20(25)18-16(12-15-9-7-6-8-10-15)17(27-14(2)3)13-22-19(18)23(4)21(24)26/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyIPXBVNGWWZHOJK-UHFFFAOYSA-N
XLogP2.88
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
CID 118875505
5-methoxy-1-methyl-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567251
5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-pyridin-3-yloxypyrido[2,3-d]pyrimidine-2,4-dione
CID 118875495
3-[5-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-3-yl]propyl formate
CID 118875886
lithium;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-[1-methyl-5-(3-methylbutyl)-2,4-dioxo-6-propan-2-yloxypyrido[2,3-d]pyrimidin-3-yl]propyl formate;hydroxide;hydrate
CID 161032898
3-[1-methyl-5-[(4-methylphenyl)methyl]-6-[(6-methyl-3-pyridinyl)oxy]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]propyl formate
CID 163497718
1-benzyl-3,7-dimethyl-8-propan-2-yloxypurine-2,6-dione
CID 91901149
5-benzyl-3-(4-hydroxybutyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 118869720
1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 16801618
6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16801597
6-benzyl-4-methyl-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 22549989
5-benzylsulfanyl-1,3-dimethyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 26844332

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 145017403) is 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)c2c(Cc3ccccc3)c(OC(C)C)cnc2n(C)c1=O.
What is the InChIKey of 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IPXBVNGWWZHOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-11-24-20(25)18-16(12-15-9-7-6-8-10-15)17(27-14(2)3)13-22-19(18)23(4)21(24)26/h6-10,13-14H,5,11-12H2,1-4H3.
What are the key properties of 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione?
5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 367.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 145017403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).