7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C17H17N3O5 — CID 154925291

IUPAC7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2ccc(-c3cc(OC)ccc3O)nc21
InChIInChI=1S/C17H17N3O5/c1-24-8-7-20-15-11(16(22)19-17(20)23)4-5-13(18-15)12-9-10(25-2)3-6-14(12)21/h3-6,9,21H,7-8H2,1-2H3,(H,19,22,23)
InChIKeyKTNQJGPUNNCOIK-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.11
Rot. Bonds5

About 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 154925291) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID154925291
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2ccc(-c3cc(OC)ccc3O)nc21
InChIInChI=1S/C17H17N3O5/c1-24-8-7-20-15-11(16(22)19-17(20)23)4-5-13(18-15)12-9-10(25-2)3-6-14(12)21/h3-6,9,21H,7-8H2,1-2H3,(H,19,22,23)
InChIKeyKTNQJGPUNNCOIK-UHFFFAOYSA-N
XLogP1.11
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 154925291) is 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)[nH]c(=O)c2ccc(-c3cc(OC)ccc3O)nc21.
What is the InChIKey of 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KTNQJGPUNNCOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-24-8-7-20-15-11(16(22)19-17(20)23)4-5-13(18-15)12-9-10(25-2)3-6-14(12)21/h3-6,9,21H,7-8H2,1-2H3,(H,19,22,23).
What are the key properties of 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 343.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 154925291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).