3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one

C13H17N3O3 — CID 168723141

IUPAC3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1nc2ccccn2c(=O)c1CNC[C@H](C)O
InChIInChI=1S/C13H17N3O3/c1-9(17)7-14-8-10-12(19-2)15-11-5-3-4-6-16(11)13(10)18/h3-6,9,14,17H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyZRSGCEVXNZMCEZ-VIFPVBQESA-N
MW263.30 g/mol
LogP0.17
Rot. Bonds5

About 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one

3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 168723141) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID168723141
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1nc2ccccn2c(=O)c1CNC[C@H](C)O
InChIInChI=1S/C13H17N3O3/c1-9(17)7-14-8-10-12(19-2)15-11-5-3-4-6-16(11)13(10)18/h3-6,9,14,17H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyZRSGCEVXNZMCEZ-VIFPVBQESA-N
XLogP0.17
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-4-oxo-N-propyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681028
N-allyl-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681033
2-hydroxy-N-(2-hydroxyethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681038
N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853281
2-hydroxy-N-(2-hydroxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680951
2-hydroxy-N-isobutyl-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680987
2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680994
2-hydroxy-N-[(2S)-2-hydroxypropyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136814052
N-butyl-2-hydroxy-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680985
2-hydroxy-N-(3-methylbutyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681034
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103723227
N-(3,3-difluoro-2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103769671

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one (CID 168723141) is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one is COc1nc2ccccn2c(=O)c1CNC[C@H](C)O.
What is the InChIKey of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZRSGCEVXNZMCEZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(17)7-14-8-10-12(19-2)15-11-5-3-4-6-16(11)13(10)18/h3-6,9,14,17H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one?
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 168723141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).