1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione

C11H19N3O2 — CID 777240

IUPAC1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione
SMILESCC(C)CCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O2/c1-8(2)5-6-12-9-7-10(15)14(4)11(16)13(9)3/h7-8,12H,5-6H2,1-4H3
InChIKeyAFRSVCWIBCSISD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.54
Rot. Bonds4

About 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione

1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione (PubChem CID 777240) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione
PubChem CID777240
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione
SMILESCC(C)CCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O2/c1-8(2)5-6-12-9-7-10(15)14(4)11(16)13(9)3/h7-8,12H,5-6H2,1-4H3
InChIKeyAFRSVCWIBCSISD-UHFFFAOYSA-N
XLogP0.54
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione (CID 777240) is 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione is CC(C)CCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione?
The InChIKey is AFRSVCWIBCSISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)5-6-12-9-7-10(15)14(4)11(16)13(9)3/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 777240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).