3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C18H24N4O6 — CID 123615856

IUPAC3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOC(O)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C18H24N4O6/c1-26-18(25)14-15(23)17(24)22-11-12(20-2-6-27-7-3-20)10-13(16(22)19-14)21-4-8-28-9-5-21/h10-11,18,23,25H,2-9H2,1H3
InChIKeyRNBXCTUQZIQYHW-UHFFFAOYSA-N
MW392.41 g/mol
LogP-0.29
Rot. Bonds4

About 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 123615856) has the molecular formula C18H24N4O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID123615856
Molecular FormulaC18H24N4O6
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOC(O)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C18H24N4O6/c1-26-18(25)14-15(23)17(24)22-11-12(20-2-6-27-7-3-20)10-13(16(22)19-14)21-4-8-28-9-5-21/h10-11,18,23,25H,2-9H2,1H3
InChIKeyRNBXCTUQZIQYHW-UHFFFAOYSA-N
XLogP-0.29
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

methyl 9-acetamido-3-hydroxy-7-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668109
Methyl-3-acetoxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)-4H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668160
methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)-4H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668215
Methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668475
methyl 3-hydroxy-7,9-dimorpholino-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 68025491
Methyl 3-butoxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 68025530
Methyl 3-butoxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 68025537
Methyl 9-[acetyl(methyl)amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 68025539
9-(Dimethylamino)-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91509902
3-Hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 123708014
Methyl 9-[[ethoxy(hydroxy)methyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 123843624
3-Hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carbaldehyde
CID 144313208

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 123615856) is 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is COC(O)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RNBXCTUQZIQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6/c1-26-18(25)14-15(23)17(24)22-11-12(20-2-6-27-7-3-20)10-13(16(22)19-14)21-4-8-28-9-5-21/h10-11,18,23,25H,2-9H2,1H3.
What are the key properties of 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 392.41 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123615856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).