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

C21H26N4O4 — CID 141419973

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(N4CCOCC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C21H26N4O4/c1-13(2)15-9-16(19(27)10-18(15)26)20(28)25-4-3-17-14(12-25)11-22-21(23-17)24-5-7-29-8-6-24/h9-11,13,26-27H,3-8,12H2,1-2H3
InChIKeyODBMFCRSLAVOJV-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.05
Rot. Bonds3

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 141419973) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID141419973
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(N4CCOCC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C21H26N4O4/c1-13(2)15-9-16(19(27)10-18(15)26)20(28)25-4-3-17-14(12-25)11-22-21(23-17)24-5-7-29-8-6-24/h9-11,13,26-27H,3-8,12H2,1-2H3
InChIKeyODBMFCRSLAVOJV-UHFFFAOYSA-N
XLogP2.05
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[2,4-Bis(Oxidanyl)-5-Propan-2-Yl-Phenyl]-(2-Ethoxy-7,8-Dihydro-5~{h}-Pyrido[4,3-D]pyrimidin-6-Yl)methanone
CID 124220253
[(2S)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 117970892
N-benzyl-N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide
CID 117972524
(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
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419972
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419975
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-methoxyethoxy)-4-propoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419976
(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-methoxy-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419978
[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 141419979
(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
[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
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-methoxyethoxy)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419986

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 141419973) is (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-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)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is CC(C)c1cc(C(=O)N2CCc3nc(N4CCOCC4)ncc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is ODBMFCRSLAVOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-13(2)15-9-16(19(27)10-18(15)26)20(28)25-4-3-17-14(12-25)11-22-21(23-17)24-5-7-29-8-6-24/h9-11,13,26-27H,3-8,12H2,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 398.46 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 141419973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).