6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane

C12H19N3O3 — CID 155704729

IUPAC6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane
SMILESCC.Cn1c(N)cc(=O)n(CC(=O)C2CC2)c1=O
InChIInChI=1S/C10H13N3O3.C2H6/c1-12-8(11)4-9(15)13(10(12)16)5-7(14)6-2-3-6;1-2/h4,6H,2-3,5,11H2,1H3;1-2H3
InChIKeyVSKWSBDOUIOOQO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.13
Rot. Bonds3

About 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane

6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane (PubChem CID 155704729) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane
PubChem CID155704729
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane
SMILESCC.Cn1c(N)cc(=O)n(CC(=O)C2CC2)c1=O
InChIInChI=1S/C10H13N3O3.C2H6/c1-12-8(11)4-9(15)13(10(12)16)5-7(14)6-2-3-6;1-2/h4,6H,2-3,5,11H2,1H3;1-2H3
InChIKeyVSKWSBDOUIOOQO-UHFFFAOYSA-N
XLogP0.13
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane?
The IUPAC name of 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane (CID 155704729) is 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane.
What is the SMILES notation for 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane?
The canonical SMILES for 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane is CC.Cn1c(N)cc(=O)n(CC(=O)C2CC2)c1=O.
What is the InChIKey of 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane?
The InChIKey is VSKWSBDOUIOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.C2H6/c1-12-8(11)4-9(15)13(10(12)16)5-7(14)6-2-3-6;1-2/h4,6H,2-3,5,11H2,1H3;1-2H3.
What are the key properties of 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane?
6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane has a molecular weight of 253.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-cyclopropyl-2-oxoethyl)-1-methylpyrimidine-2,4-dione;ethane is sourced from PubChem (CID 155704729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).