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

C22H30N4O5 — CID 141419980

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOCCOc1nc2c(c(N(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2
InChIInChI=1S/C22H30N4O5/c1-13(2)14-10-15(19(28)11-18(14)27)21(29)26-7-6-17-16(12-26)20(25(3)4)24-22(23-17)31-9-8-30-5/h10-11,13,27-28H,6-9,12H2,1-5H3
InChIKeyOGEYYZRDECMTSS-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.30
Rot. Bonds7

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 141419980) 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-(dimethylamino)-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-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID141419980
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOCCOc1nc2c(c(N(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2
InChIInChI=1S/C22H30N4O5/c1-13(2)14-10-15(19(28)11-18(14)27)21(29)26-7-6-17-16(12-26)20(25(3)4)24-22(23-17)31-9-8-30-5/h10-11,13,27-28H,6-9,12H2,1-5H3
InChIKeyOGEYYZRDECMTSS-UHFFFAOYSA-N
XLogP2.30
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.30
H-Bond Donors ≤ 52
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-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-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-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 141419980) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is COCCOc1nc2c(c(N(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is OGEYYZRDECMTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-13(2)14-10-15(19(28)11-18(14)27)21(29)26-7-6-17-16(12-26)20(25(3)4)24-22(23-17)31-9-8-30-5/h10-11,13,27-28H,6-9,12H2,1-5H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-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 2.30, 7 rotatable bonds, 2 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-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 141419980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).