[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

C23H32N4O4 — CID 162643688

IUPAC[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCN(CC)CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C23H32N4O4/c1-5-26(6-2)9-10-31-23-24-13-16-14-27(8-7-19(16)25-23)22(30)18-11-17(15(3)4)20(28)12-21(18)29/h11-13,15,28-29H,5-10,14H2,1-4H3
InChIKeyLLFPHFOEAUTJGC-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.93
Rot. Bonds8

About [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 162643688) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID162643688
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCN(CC)CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C23H32N4O4/c1-5-26(6-2)9-10-31-23-24-13-16-14-27(8-7-19(16)25-23)22(30)18-11-17(15(3)4)20(28)12-21(18)29/h11-13,15,28-29H,5-10,14H2,1-4H3
InChIKeyLLFPHFOEAUTJGC-UHFFFAOYSA-N
XLogP2.93
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 162643688) is [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CCN(CC)CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2.
What is the InChIKey of [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is LLFPHFOEAUTJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-5-26(6-2)9-10-31-23-24-13-16-14-27(8-7-19(16)25-23)22(30)18-11-17(15(3)4)20(28)12-21(18)29/h11-13,15,28-29H,5-10,14H2,1-4H3.
What are the key properties of [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 428.53 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 162643688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).