1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione

C9H11N3O2 — CID 59104544

IUPAC1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1C(=O)C2C=CC=NC2N(C)C1=O
InChIInChI=1S/C9H11N3O2/c1-11-7-6(4-3-5-10-7)8(13)12(2)9(11)14/h3-7H,1-2H3
InChIKeyXWOADPCNPWDQSM-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.09
Rot. Bonds

About 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 59104544) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID59104544
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1C(=O)C2C=CC=NC2N(C)C1=O
InChIInChI=1S/C9H11N3O2/c1-11-7-6(4-3-5-10-7)8(13)12(2)9(11)14/h3-7H,1-2H3
InChIKeyXWOADPCNPWDQSM-UHFFFAOYSA-N
XLogP0.09
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione (CID 59104544) is 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione is CN1C(=O)C2C=CC=NC2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XWOADPCNPWDQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-11-7-6(4-3-5-10-7)8(13)12(2)9(11)14/h3-7H,1-2H3.
What are the key properties of 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).