2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C25H27N3O2S — CID 51535879

IUPAC2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2cc(=O)n3cc(C)ccc3n2)[C@H](C)Cc2cccs2)cc1
InChIInChI=1S/C25H27N3O2S/c1-18-6-11-24-26-21(14-25(29)28(24)15-18)17-27(19(2)13-23-5-4-12-31-23)16-20-7-9-22(30-3)10-8-20/h4-12,14-15,19H,13,16-17H2,1-3H3/t19-/m1/s1
InChIKeyKBXUFYLWADULKN-LJQANCHMSA-N
MW433.58 g/mol
LogP4.71
Rot. Bonds8

About 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 51535879) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID51535879
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2cc(=O)n3cc(C)ccc3n2)[C@H](C)Cc2cccs2)cc1
InChIInChI=1S/C25H27N3O2S/c1-18-6-11-24-26-21(14-25(29)28(24)15-18)17-27(19(2)13-23-5-4-12-31-23)16-20-7-9-22(30-3)10-8-20/h4-12,14-15,19H,13,16-17H2,1-3H3/t19-/m1/s1
InChIKeyKBXUFYLWADULKN-LJQANCHMSA-N
XLogP4.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 18276993
7-methyl-2-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9055397
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 78723328
2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 94841445
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17471416
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 7537217
2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 166333345
7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60512889

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 51535879) is 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(CN(Cc2cc(=O)n3cc(C)ccc3n2)[C@H](C)Cc2cccs2)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KBXUFYLWADULKN-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-18-6-11-24-26-21(14-25(29)28(24)15-18)17-27(19(2)13-23-5-4-12-31-23)16-20-7-9-22(30-3)10-8-20/h4-12,14-15,19H,13,16-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 433.58 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51535879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).