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

C22H30N4O5 — CID 132991403

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2
InChIInChI=1S/C22H30N4O5/c1-5-23-20-16-12-26(7-6-17(16)24-22(25-20)31-9-8-30-4)21(29)15-10-14(13(2)3)18(27)11-19(15)28/h10-11,13,27-28H,5-9,12H2,1-4H3,(H,23,24,25)
InChIKeyWMKQKCZJMSQJLS-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.67
Rot. Bonds8

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 132991403) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID132991403
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2
InChIInChI=1S/C22H30N4O5/c1-5-23-20-16-12-26(7-6-17(16)24-22(25-20)31-9-8-30-4)21(29)15-10-14(13(2)3)18(27)11-19(15)28/h10-11,13,27-28H,5-9,12H2,1-4H3,(H,23,24,25)
InChIKeyWMKQKCZJMSQJLS-UHFFFAOYSA-N
XLogP2.67
TPSA117.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]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 (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 132991403) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is WMKQKCZJMSQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-5-23-20-16-12-26(7-6-17(16)24-22(25-20)31-9-8-30-4)21(29)15-10-14(13(2)3)18(27)11-19(15)28/h10-11,13,27-28H,5-9,12H2,1-4H3,(H,23,24,25).
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 430.51 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 132991403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).