(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C19H23N3O4 — CID 29179766

IUPAC(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC(C)COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H23N3O4/c1-11(2)10-26-14-8-6-5-7-12(14)13-9-15(23)20-17-16(13)18(24)22(4)19(25)21(17)3/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m0/s1
InChIKeyZZTSYBWELMNMSB-ZDUSSCGKSA-N
MW357.41 g/mol
LogP1.59
Rot. Bonds4

About (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 29179766) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID29179766
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC(C)COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H23N3O4/c1-11(2)10-26-14-8-6-5-7-12(14)13-9-15(23)20-17-16(13)18(24)22(4)19(25)21(17)3/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m0/s1
InChIKeyZZTSYBWELMNMSB-ZDUSSCGKSA-N
XLogP1.59
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122353
(4S)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878797
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122358
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953717
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
(4S)-1,3-dimethyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826229
(5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 7426191
5-(4-bromophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 42651194
(5R)-5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 40774601
5-(2-ethoxyphenyl)-1-methyl-2-prop-2-enylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 6496339
(4R)-1-propan-2-yl-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826011
(5S)-1-methyl-5-(2-phenylmethoxyphenyl)-2-prop-2-enylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 93039223

Frequently Asked Questions

What is the IUPAC name of (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 29179766) is (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is CC(C)COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ZZTSYBWELMNMSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11(2)10-26-14-8-6-5-7-12(14)13-9-15(23)20-17-16(13)18(24)22(4)19(25)21(17)3/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 357.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 29179766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).