2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one

C8H13N3O — CID 82652716

IUPAC2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNCCc1cnc(C)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(3-4-9-2)8(12)11-6/h5,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyYZPSKOZDMUVAAB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.16
Rot. Bonds3

About 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one

2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 82652716) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID82652716
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNCCc1cnc(C)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(3-4-9-2)8(12)11-6/h5,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyYZPSKOZDMUVAAB-UHFFFAOYSA-N
XLogP-0.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
5-Acetyl-2-methylpyrimidin-4(3H)-one
CID 12194767
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-Methylaminoethyl-2-selenouracil
CID 129858036
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one (CID 82652716) is 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one is CNCCc1cnc(C)[nH]c1=O.
What is the InChIKey of 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is YZPSKOZDMUVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-5-7(3-4-9-2)8(12)11-6/h5,9H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 82652716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).