1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione

C9H14N2O2 — CID 58883363

IUPAC1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H14N2O2/c1-6(2)7-5-8(12)11(4)9(13)10(7)3/h5-6H,1-4H3
InChIKeyIYPLWIDLGLLJCU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.21
Rot. Bonds1

About 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione

1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione (PubChem CID 58883363) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
PubChem CID58883363
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H14N2O2/c1-6(2)7-5-8(12)11(4)9(13)10(7)3/h5-6H,1-4H3
InChIKeyIYPLWIDLGLLJCU-UHFFFAOYSA-N
XLogP0.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione (CID 58883363) is 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione is CC(C)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is IYPLWIDLGLLJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)7-5-8(12)11(4)9(13)10(7)3/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 58883363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).