1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C19H21N3O4 — CID 17148094

IUPAC1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21
InChIInChI=1S/C19H21N3O4/c1-4-5-10-22-17-16(18(23)21-19(22)24)13(8-9-20-17)12-6-7-14(25-2)15(11-12)26-3/h6-9,11H,4-5,10H2,1-3H3,(H,21,23,24)
InChIKeyAANSZMBDGJOAIR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.57
Rot. Bonds6

About 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17148094) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17148094
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21
InChIInChI=1S/C19H21N3O4/c1-4-5-10-22-17-16(18(23)21-19(22)24)13(8-9-20-17)12-6-7-14(25-2)15(11-12)26-3/h6-9,11H,4-5,10H2,1-3H3,(H,21,23,24)
InChIKeyAANSZMBDGJOAIR-UHFFFAOYSA-N
XLogP2.57
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 17148094) is 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21.
What is the InChIKey of 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AANSZMBDGJOAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-5-10-22-17-16(18(23)21-19(22)24)13(8-9-20-17)12-6-7-14(25-2)15(11-12)26-3/h6-9,11H,4-5,10H2,1-3H3,(H,21,23,24).
What are the key properties of 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 355.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17148094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).