1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione

C10H17N3O2 — CID 547155

IUPAC1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCN(C)C
InChIInChI=1S/C10H17N3O2/c1-8-7-9(14)12(4)10(15)13(8)6-5-11(2)3/h7H,5-6H2,1-4H3
InChIKeyPMSRPBCMNWKFFT-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.58
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione

1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 547155) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione
PubChem CID547155
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCN(C)C
InChIInChI=1S/C10H17N3O2/c1-8-7-9(14)12(4)10(15)13(8)6-5-11(2)3/h7H,5-6H2,1-4H3
InChIKeyPMSRPBCMNWKFFT-UHFFFAOYSA-N
XLogP-0.58
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione (CID 547155) is 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is PMSRPBCMNWKFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-9(14)12(4)10(15)13(8)6-5-11(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione?
1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 547155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).