1-[2-(methylamino)ethyl]pyrimidin-2-one

C7H11N3O — CID 61386958

IUPAC1-[2-(methylamino)ethyl]pyrimidin-2-one
SMILESCNCCn1cccnc1=O
InChIInChI=1S/C7H11N3O/c1-8-4-6-10-5-2-3-9-7(10)11/h2-3,5,8H,4,6H2,1H3
InChIKeyQMTNSCMHABZYNE-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.54
Rot. Bonds3

About 1-[2-(methylamino)ethyl]pyrimidin-2-one

1-[2-(methylamino)ethyl]pyrimidin-2-one (PubChem CID 61386958) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]pyrimidin-2-one
PubChem CID61386958
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-[2-(methylamino)ethyl]pyrimidin-2-one
SMILESCNCCn1cccnc1=O
InChIInChI=1S/C7H11N3O/c1-8-4-6-10-5-2-3-9-7(10)11/h2-3,5,8H,4,6H2,1H3
InChIKeyQMTNSCMHABZYNE-UHFFFAOYSA-N
XLogP-0.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(methylamino)ethyl]pyrimidin-2-one (CID 61386958) is 1-[2-(methylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(methylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(methylamino)ethyl]pyrimidin-2-one is CNCCn1cccnc1=O.
What is the InChIKey of 1-[2-(methylamino)ethyl]pyrimidin-2-one?
The InChIKey is QMTNSCMHABZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-8-4-6-10-5-2-3-9-7(10)11/h2-3,5,8H,4,6H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]pyrimidin-2-one?
1-[2-(methylamino)ethyl]pyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 61386958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).