2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H24N4O3S — CID 136888304

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESC[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)Cc2cccs2)C3)C[C@H](C)O1
InChIInChI=1S/C19H24N4O3S/c1-12-9-23(10-13(2)26-12)19-20-16-11-22(6-5-15(16)18(25)21-19)17(24)8-14-4-3-7-27-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,20,21,25)/t12-,13-/m0/s1
InChIKeyHPJPLFXJLCXJQV-STQMWFEESA-N
MW388.49 g/mol
LogP1.57
Rot. Bonds3

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136888304) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136888304
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESC[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)Cc2cccs2)C3)C[C@H](C)O1
InChIInChI=1S/C19H24N4O3S/c1-12-9-23(10-13(2)26-12)19-20-16-11-22(6-5-15(16)18(25)21-19)17(24)8-14-4-3-7-27-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,20,21,25)/t12-,13-/m0/s1
InChIKeyHPJPLFXJLCXJQV-STQMWFEESA-N
XLogP1.57
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone
CID 42786475
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888273
2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680753
7-[(5-bromothiophen-2-yl)methyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798287
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-[(3R)-3-phenylbutyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798337
N-[4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 136888342
2-(2,6-dimethylmorpholin-4-yl)-7-[(2-hydroxynaphthalen-1-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719623
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(quinolin-8-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888293
7-cyclohexyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798385
7-[(3-chlorophenyl)methyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888329
7-[(2,5-difluorophenyl)methyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888369
7-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707014

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136888304) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)Cc2cccs2)C3)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HPJPLFXJLCXJQV-STQMWFEESA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-9-23(10-13(2)26-12)19-20-16-11-22(6-5-15(16)18(25)21-19)17(24)8-14-4-3-7-27-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,20,21,25)/t12-,13-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 388.49 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136888304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).