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

C24H34N4O5 — CID 141419985

IUPAC[4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCN(CC)c1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2
InChIInChI=1S/C24H34N4O5/c1-6-27(7-2)22-18-14-28(9-8-19(18)25-24(26-22)33-11-10-32-5)23(31)17-12-16(15(3)4)20(29)13-21(17)30/h12-13,15,29-30H,6-11,14H2,1-5H3
InChIKeyOMCBLLJSSZKHFH-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.08
Rot. Bonds9

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

[4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 141419985) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID141419985
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name[4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCN(CC)c1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2
InChIInChI=1S/C24H34N4O5/c1-6-27(7-2)22-18-14-28(9-8-19(18)25-24(26-22)33-11-10-32-5)23(31)17-12-16(15(3)4)20(29)13-21(17)30/h12-13,15,29-30H,6-11,14H2,1-5H3
InChIKeyOMCBLLJSSZKHFH-UHFFFAOYSA-N
XLogP3.08
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 141419985) is [4-(diethylamino)-2-(2-methoxyethoxy)-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 [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CCN(CC)c1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2.
What is the InChIKey of [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is OMCBLLJSSZKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-6-27(7-2)22-18-14-28(9-8-19(18)25-24(26-22)33-11-10-32-5)23(31)17-12-16(15(3)4)20(29)13-21(17)30/h12-13,15,29-30H,6-11,14H2,1-5H3.
What are the key properties of [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
[4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 458.56 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 141419985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).