6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one

C8H13N3O — CID 54057119

IUPAC6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one
SMILESCN(C)CCc1ccnc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-11(2)6-4-7-3-5-9-8(12)10-7/h3,5H,4,6H2,1-2H3,(H,9,10,12)
InChIKeyLXAIOGNZCSLYMD-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.13
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one

6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one (PubChem CID 54057119) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one
PubChem CID54057119
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one
SMILESCN(C)CCc1ccnc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-11(2)6-4-7-3-5-9-8(12)10-7/h3,5H,4,6H2,1-2H3,(H,9,10,12)
InChIKeyLXAIOGNZCSLYMD-UHFFFAOYSA-N
XLogP-0.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one (CID 54057119) is 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one is CN(C)CCc1ccnc(=O)[nH]1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one?
The InChIKey is LXAIOGNZCSLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(2)6-4-7-3-5-9-8(12)10-7/h3,5H,4,6H2,1-2H3,(H,9,10,12).
What are the key properties of 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one?
6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 54057119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).