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

C18H21N3O4 — CID 3162453

IUPAC1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H21N3O4/c1-10(2)25-13-8-6-5-7-11(13)12-9-14(22)19-16-15(12)17(23)21(4)18(24)20(16)3/h5-8,10,12H,9H2,1-4H3,(H,19,22)
InChIKeyWWPRRWKZTUPULE-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.35
Rot. Bonds3

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

1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 3162453) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID3162453
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H21N3O4/c1-10(2)25-13-8-6-5-7-11(13)12-9-14(22)19-16-15(12)17(23)21(4)18(24)20(16)3/h5-8,10,12H,9H2,1-4H3,(H,19,22)
InChIKeyWWPRRWKZTUPULE-UHFFFAOYSA-N
XLogP1.35
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 3162453) is 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is CC(C)Oc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is WWPRRWKZTUPULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(2)25-13-8-6-5-7-11(13)12-9-14(22)19-16-15(12)17(23)21(4)18(24)20(16)3/h5-8,10,12H,9H2,1-4H3,(H,19,22).
What are the key properties of 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 343.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-propan-2-yloxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 3162453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).