2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one

C9H15N3O — CID 83875792

IUPAC2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCc1cnc(C)n(C)c1=O
InChIInChI=1S/C9H15N3O/c1-7-11-6-8(4-5-10-2)9(13)12(7)3/h6,10H,4-5H2,1-3H3
InChIKeyAKNBYGJWJYEUJV-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.15
Rot. Bonds3

About 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one

2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 83875792) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID83875792
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCNCCc1cnc(C)n(C)c1=O
InChIInChI=1S/C9H15N3O/c1-7-11-6-8(4-5-10-2)9(13)12(7)3/h6,10H,4-5H2,1-3H3
InChIKeyAKNBYGJWJYEUJV-UHFFFAOYSA-N
XLogP-0.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
5-Ethyl-2,3-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334367
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
CID 24903858

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one (CID 83875792) is 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one is CNCCc1cnc(C)n(C)c1=O.
What is the InChIKey of 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is AKNBYGJWJYEUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-11-6-8(4-5-10-2)9(13)12(7)3/h6,10H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 83875792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).