1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C19H21N5O4S — CID 127251710

IUPAC1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc(CC(=O)N2CCOC(c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cs1
InChIInChI=1S/C19H21N5O4S/c1-11-20-12(10-29-11)8-16(25)24-6-7-28-15(9-24)14-5-4-13-17(21-14)22(2)19(27)23(3)18(13)26/h4-5,10,15H,6-9H2,1-3H3
InChIKeyMTUJFEXAUABQES-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.54
Rot. Bonds3

About 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 127251710) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID127251710
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc(CC(=O)N2CCOC(c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cs1
InChIInChI=1S/C19H21N5O4S/c1-11-20-12(10-29-11)8-16(25)24-6-7-28-15(9-24)14-5-4-13-17(21-14)22(2)19(27)23(3)18(13)26/h4-5,10,15H,6-9H2,1-3H3
InChIKeyMTUJFEXAUABQES-UHFFFAOYSA-N
XLogP0.54
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110112560
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
1,3-dimethyl-7-[(2R)-4-(pyridine-3-carbonyl)morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125011324
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
CID 92633198
(2R)-N-cyclopentyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine-2-carboxamide
CID 92633297
1-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124970025
4-[2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131781
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 127251710) is 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1nc(CC(=O)N2CCOC(c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cs1.
What is the InChIKey of 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MTUJFEXAUABQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-11-20-12(10-29-11)8-16(25)24-6-7-28-15(9-24)14-5-4-13-17(21-14)22(2)19(27)23(3)18(13)26/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 415.48 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 127251710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).