5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H19N3O2 — CID 43533218

IUPAC5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(NCc1cn(C)c(=O)n(C)c1=O)C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(9-4-5-9)13-6-10-7-14(2)12(17)15(3)11(10)16/h7-9,13H,4-6H2,1-3H3
InChIKeyXFQNAEJKEPVILB-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.03
Rot. Bonds4

About 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43533218) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43533218
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(NCc1cn(C)c(=O)n(C)c1=O)C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(9-4-5-9)13-6-10-7-14(2)12(17)15(3)11(10)16/h7-9,13H,4-6H2,1-3H3
InChIKeyXFQNAEJKEPVILB-UHFFFAOYSA-N
XLogP-0.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43533218) is 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(NCc1cn(C)c(=O)n(C)c1=O)C1CC1.
What is the InChIKey of 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XFQNAEJKEPVILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(9-4-5-9)13-6-10-7-14(2)12(17)15(3)11(10)16/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43533218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).