3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione

C12H19N3O2 — CID 59912775

IUPAC3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SMILESC/C=C/c1c(C)n(C)c(=O)n(CN(C)C)c1=O
InChIInChI=1S/C12H19N3O2/c1-6-7-10-9(2)14(5)12(17)15(11(10)16)8-13(3)4/h6-7H,8H2,1-5H3/b7-6+
InChIKeyDSCPCNQBPXYQFO-VOTSOKGWSA-N
MW237.30 g/mol
LogP0.41
Rot. Bonds3

About 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione

3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione (PubChem CID 59912775) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
PubChem CID59912775
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SMILESC/C=C/c1c(C)n(C)c(=O)n(CN(C)C)c1=O
InChIInChI=1S/C12H19N3O2/c1-6-7-10-9(2)14(5)12(17)15(11(10)16)8-13(3)4/h6-7H,8H2,1-5H3/b7-6+
InChIKeyDSCPCNQBPXYQFO-VOTSOKGWSA-N
XLogP0.41
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione (CID 59912775) is 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione is C/C=C/c1c(C)n(C)c(=O)n(CN(C)C)c1=O.
What is the InChIKey of 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is DSCPCNQBPXYQFO-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-7-10-9(2)14(5)12(17)15(11(10)16)8-13(3)4/h6-7H,8H2,1-5H3/b7-6+.
What are the key properties of 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 59912775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).