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

C21H28N4O3 — CID 141420010

IUPAC[2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCN(CC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C21H28N4O3/c1-5-24(6-2)21-22-11-14-12-25(8-7-17(14)23-21)20(28)16-9-15(13(3)4)18(26)10-19(16)27/h9-11,13,26-27H,5-8,12H2,1-4H3
InChIKeyXKFXZHBSOWUDMV-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.06
Rot. Bonds5

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

[2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 141420010) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID141420010
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCN(CC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C21H28N4O3/c1-5-24(6-2)21-22-11-14-12-25(8-7-17(14)23-21)20(28)16-9-15(13(3)4)18(26)10-19(16)27/h9-11,13,26-27H,5-8,12H2,1-4H3
InChIKeyXKFXZHBSOWUDMV-UHFFFAOYSA-N
XLogP3.06
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 141420010) is [2-(diethylamino)-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-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CCN(CC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2.
What is the InChIKey of [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is XKFXZHBSOWUDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-5-24(6-2)21-22-11-14-12-25(8-7-17(14)23-21)20(28)16-9-15(13(3)4)18(26)10-19(16)27/h9-11,13,26-27H,5-8,12H2,1-4H3.
What are the key properties of [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
[2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 384.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 141420010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).