7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H23N3O2S — CID 9055397

IUPAC7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cc(=O)n2c1
InChIInChI=1S/C20H23N3O2S/c1-15-6-7-19-21-16(10-20(24)23(19)11-15)12-22(13-17-4-2-8-25-17)14-18-5-3-9-26-18/h3,5-7,9-11,17H,2,4,8,12-14H2,1H3/t17-/m1/s1
InChIKeyKUAOPESJGPAHCE-QGZVFWFLSA-N
MW369.49 g/mol
LogP3.25
Rot. Bonds6

About 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9055397) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9055397
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cc(=O)n2c1
InChIInChI=1S/C20H23N3O2S/c1-15-6-7-19-21-16(10-20(24)23(19)11-15)12-22(13-17-4-2-8-25-17)14-18-5-3-9-26-18/h3,5-7,9-11,17H,2,4,8,12-14H2,1H3/t17-/m1/s1
InChIKeyKUAOPESJGPAHCE-QGZVFWFLSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95580774
1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 40881767
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 47034356
2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8962117
2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51535879
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516
2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 8926032

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 9055397) is 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KUAOPESJGPAHCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-6-7-19-21-16(10-20(24)23(19)11-15)12-22(13-17-4-2-8-25-17)14-18-5-3-9-26-18/h3,5-7,9-11,17H,2,4,8,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9055397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).