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

C10H17N3O2 — CID 777239

IUPAC1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione
SMILESCC(C)CNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H17N3O2/c1-7(2)6-11-8-5-9(14)13(4)10(15)12(8)3/h5,7,11H,6H2,1-4H3
InChIKeyULZGAGFFEHCDHP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.15
Rot. Bonds3

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

1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione (PubChem CID 777239) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione
PubChem CID777239
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione
SMILESCC(C)CNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H17N3O2/c1-7(2)6-11-8-5-9(14)13(4)10(15)12(8)3/h5,7,11H,6H2,1-4H3
InChIKeyULZGAGFFEHCDHP-UHFFFAOYSA-N
XLogP0.15
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.15
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-(2-methylpropylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione (CID 777239) is 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione is CC(C)CNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione?
The InChIKey is ULZGAGFFEHCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)6-11-8-5-9(14)13(4)10(15)12(8)3/h5,7,11H,6H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-methylpropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 777239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).