1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C19H20N4O4 — CID 2786001

IUPAC1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(N3CCOCC3)cc(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C19H20N4O4/c1-20-17-16(18(25)21(2)19(20)26)14(22-8-10-27-11-9-22)12-15(24)23(17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyUTTYIKYMNULKAT-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.22
Rot. Bonds2

About 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 2786001) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID2786001
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(N3CCOCC3)cc(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C19H20N4O4/c1-20-17-16(18(25)21(2)19(20)26)14(22-8-10-27-11-9-22)12-15(24)23(17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyUTTYIKYMNULKAT-UHFFFAOYSA-N
XLogP0.22
TPSA78.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-phenyl-1,3-oxazolidine
CID 519787
3-amino-3-(5-chloro-1,3-dimethyl-2,4,7-trioxo-8-phenylpyrido[2,3-d]pyrimidin-6-yl)propanoic acid
CID 170872709
1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione
CID 91085632
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687
2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 50832787
6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
CID 54705844
4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
CID 2785878
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one
CID 72948579
7-benzyl-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 979191

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 2786001) is 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(N3CCOCC3)cc(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UTTYIKYMNULKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-20-17-16(18(25)21(2)19(20)26)14(22-8-10-27-11-9-22)12-15(24)23(17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 368.39 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 2786001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).