1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde

C10H14N2O3 — CID 10081841

IUPAC1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c(=O)n1C(C)C
InChIInChI=1S/C10H14N2O3/c1-6(2)12-7(3)8(5-13)9(14)11(4)10(12)15/h5-6H,1-4H3
InChIKeyXRUKENKIBKOKFF-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.25
Rot. Bonds2

About 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde

1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 10081841) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID10081841
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c(=O)n1C(C)C
InChIInChI=1S/C10H14N2O3/c1-6(2)12-7(3)8(5-13)9(14)11(4)10(12)15/h5-6H,1-4H3
InChIKeyXRUKENKIBKOKFF-UHFFFAOYSA-N
XLogP0.25
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde (CID 10081841) is 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde is Cc1c(C=O)c(=O)n(C)c(=O)n1C(C)C.
What is the InChIKey of 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is XRUKENKIBKOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)12-7(3)8(5-13)9(14)11(4)10(12)15/h5-6H,1-4H3.
What are the key properties of 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde?
1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 10081841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).