1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione

C16H23N3O3 — CID 16801618

IUPAC1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCOc1ccnc2c1c(=O)n(CCC(C)C)c(=O)n2C
InChIInChI=1S/C16H23N3O3/c1-5-10-22-12-6-8-17-14-13(12)15(20)19(9-7-11(2)3)16(21)18(14)4/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyJFBIYQMTYPCEBU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.93
Rot. Bonds6

About 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16801618) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16801618
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCOc1ccnc2c1c(=O)n(CCC(C)C)c(=O)n2C
InChIInChI=1S/C16H23N3O3/c1-5-10-22-12-6-8-17-14-13(12)15(20)19(9-7-11(2)3)16(21)18(14)4/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyJFBIYQMTYPCEBU-UHFFFAOYSA-N
XLogP1.93
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione (CID 16801618) is 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione is CCCOc1ccnc2c1c(=O)n(CCC(C)C)c(=O)n2C.
What is the InChIKey of 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JFBIYQMTYPCEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-10-22-12-6-8-17-14-13(12)15(20)19(9-7-11(2)3)16(21)18(14)4/h6,8,11H,5,7,9-10H2,1-4H3.
What are the key properties of 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 305.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16801618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).