1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione

C9H9N3O2 — CID 170359952

IUPAC1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1nc(=O)n(C)c2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O2/c1-5-6-3-4-7(13)11-8(6)12(2)9(14)10-5/h3-4H,1-2H3,(H,11,13)
InChIKeyKAAGSSBRJVQEIE-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.07
Rot. Bonds

About 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione

1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione (PubChem CID 170359952) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
PubChem CID170359952
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1nc(=O)n(C)c2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O2/c1-5-6-3-4-7(13)11-8(6)12(2)9(14)10-5/h3-4H,1-2H3,(H,11,13)
InChIKeyKAAGSSBRJVQEIE-UHFFFAOYSA-N
XLogP-0.07
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The IUPAC name of 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione (CID 170359952) is 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione.
What is the SMILES notation for 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The canonical SMILES for 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione is Cc1nc(=O)n(C)c2[nH]c(=O)ccc12.
What is the InChIKey of 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The InChIKey is KAAGSSBRJVQEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-6-3-4-7(13)11-8(6)12(2)9(14)10-5/h3-4H,1-2H3,(H,11,13).
What are the key properties of 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione has a molecular weight of 191.19 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione is sourced from PubChem (CID 170359952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).