1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione

C13H12N2O3 — CID 102511831

IUPAC1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)Cc1ccccc1O2
InChIInChI=1S/C13H12N2O3/c1-14-11(16)9-7-8-5-3-4-6-10(8)18-12(9)15(2)13(14)17/h3-6H,7H2,1-2H3
InChIKeyUAKPLMWNFXIJQD-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.78
Rot. Bonds

About 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 102511831) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID102511831
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)Cc1ccccc1O2
InChIInChI=1S/C13H12N2O3/c1-14-11(16)9-7-8-5-3-4-6-10(8)18-12(9)15(2)13(14)17/h3-6H,7H2,1-2H3
InChIKeyUAKPLMWNFXIJQD-UHFFFAOYSA-N
XLogP0.78
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (CID 102511831) is 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)Cc1ccccc1O2.
What is the InChIKey of 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UAKPLMWNFXIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-14-11(16)9-7-8-5-3-4-6-10(8)18-12(9)15(2)13(14)17/h3-6H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 102511831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).