6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

C11H17N3O2 — CID 122233041

IUPAC6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=C\c1cc(=O)n(C)c(=O)n1C)N(C)C
InChIInChI=1S/C11H17N3O2/c1-8(12(2)3)6-9-7-10(15)14(5)11(16)13(9)4/h6-7H,1-5H3/b8-6+
InChIKeyBGQKJQQFSDOKCU-SOFGYWHQSA-N
MW223.28 g/mol
LogP0.01
Rot. Bonds2

About 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 122233041) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID122233041
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=C\c1cc(=O)n(C)c(=O)n1C)N(C)C
InChIInChI=1S/C11H17N3O2/c1-8(12(2)3)6-9-7-10(15)14(5)11(16)13(9)4/h6-7H,1-5H3/b8-6+
InChIKeyBGQKJQQFSDOKCU-SOFGYWHQSA-N
XLogP0.01
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione (CID 122233041) is 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione is C/C(=C\c1cc(=O)n(C)c(=O)n1C)N(C)C.
What is the InChIKey of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BGQKJQQFSDOKCU-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(12(2)3)6-9-7-10(15)14(5)11(16)13(9)4/h6-7H,1-5H3/b8-6+.
What are the key properties of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 122233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).