3-[2-(methylamino)ethyl]pyrimidin-4-one

C7H11N3O — CID 63768123

IUPAC3-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCn1cnccc1=O
InChIInChI=1S/C7H11N3O/c1-8-4-5-10-6-9-3-2-7(10)11/h2-3,6,8H,4-5H2,1H3
InChIKeyHKTCUSQCDIGABB-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.54
Rot. Bonds3

About 3-[2-(methylamino)ethyl]pyrimidin-4-one

3-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 63768123) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID63768123
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCn1cnccc1=O
InChIInChI=1S/C7H11N3O/c1-8-4-5-10-6-9-3-2-7(10)11/h2-3,6,8H,4-5H2,1H3
InChIKeyHKTCUSQCDIGABB-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 3-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(methylamino)ethyl]pyrimidin-4-one (CID 63768123) is 3-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(methylamino)ethyl]pyrimidin-4-one is CNCCn1cnccc1=O.
What is the InChIKey of 3-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is HKTCUSQCDIGABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-8-4-5-10-6-9-3-2-7(10)11/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]pyrimidin-4-one?
3-[2-(methylamino)ethyl]pyrimidin-4-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 3-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63768123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).