(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C19H22N4O3 — CID 137222356

IUPAC(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(C)c([C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1
InChIInChI=1S/C19H22N4O3/c1-11-3-4-12(2)13(9-11)14-10-15(24)20-17-16(14)18(25)22-19(21-17)23-5-7-26-8-6-23/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21,22,24,25)/t14-/m0/s1
InChIKeyCTWBZBJCSPMCCX-AWEZNQCLSA-N
MW354.41 g/mol
LogP1.70
Rot. Bonds2

About (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137222356) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137222356
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(C)c([C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1
InChIInChI=1S/C19H22N4O3/c1-11-3-4-12(2)13(9-11)14-10-15(24)20-17-16(14)18(25)22-19(21-17)23-5-7-26-8-6-23/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21,22,24,25)/t14-/m0/s1
InChIKeyCTWBZBJCSPMCCX-AWEZNQCLSA-N
XLogP1.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 135645581
5-(2-chlorophenyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637843
(5S)-5-(2-methoxyphenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222397
2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637709
(5S)-N-(4-acetamidophenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896557
2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637712
2-piperidin-1-yl-5-pyridin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637680
(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222416
(5S)-N-(4-fluorophenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937661
5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637697
(5R)-N-(4-ethylphenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937654
(5S)-5-(2-nitrophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222389

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137222356) is (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1.
What is the InChIKey of (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CTWBZBJCSPMCCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-3-4-12(2)13(9-11)14-10-15(24)20-17-16(14)18(25)22-19(21-17)23-5-7-26-8-6-23/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21,22,24,25)/t14-/m0/s1.
What are the key properties of (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 354.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137222356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).