2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C19H25N3O3 — CID 97199455

IUPAC2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC4(CC3)OCCC[C@H]4O)nc2c1
InChIInChI=1S/C19H25N3O3/c1-14-4-7-22-17(11-14)20-15(12-18(22)24)13-21-8-5-19(6-9-21)16(23)3-2-10-25-19/h4,7,11-12,16,23H,2-3,5-6,8-10,13H2,1H3/t16-/m1/s1
InChIKeyCGQIKINEDRXMRN-MRXNPFEDSA-N
MW343.43 g/mol
LogP1.51
Rot. Bonds2

About 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 97199455) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID97199455
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC4(CC3)OCCC[C@H]4O)nc2c1
InChIInChI=1S/C19H25N3O3/c1-14-4-7-22-17(11-14)20-15(12-18(22)24)13-21-8-5-19(6-9-21)16(23)3-2-10-25-19/h4,7,11-12,16,23H,2-3,5-6,8-10,13H2,1H3/t16-/m1/s1
InChIKeyCGQIKINEDRXMRN-MRXNPFEDSA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 107226148
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 103729356
8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920478
8-methyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975286
2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 163308338
(5S)-9-[(2-ethylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99935784
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 60917102
(5R)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124967124
(5S)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124967123
9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72852084
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
(3aS,7aR)-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98322562

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 97199455) is 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN3CCC4(CC3)OCCC[C@H]4O)nc2c1.
What is the InChIKey of 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CGQIKINEDRXMRN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-4-7-22-17(11-14)20-15(12-18(22)24)13-21-8-5-19(6-9-21)16(23)3-2-10-25-19/h4,7,11-12,16,23H,2-3,5-6,8-10,13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97199455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).