1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C12H15N3O2 — CID 51109198

IUPAC1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C12H15N3O2/c1-7(2)9-6-5-8-10(13-9)14(3)12(17)15(4)11(8)16/h5-7H,1-4H3
InChIKeyNBYVXGPUAMTYQB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.76
Rot. Bonds1

About 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 51109198) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID51109198
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C12H15N3O2/c1-7(2)9-6-5-8-10(13-9)14(3)12(17)15(4)11(8)16/h5-7H,1-4H3
InChIKeyNBYVXGPUAMTYQB-UHFFFAOYSA-N
XLogP0.76
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 51109198) is 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NBYVXGPUAMTYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)9-6-5-8-10(13-9)14(3)12(17)15(4)11(8)16/h5-7H,1-4H3.
What are the key properties of 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 51109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).