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

C10H17N3O — CID 83879429

IUPAC3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCCn1c(C)ncc(CCNC)c1=O
InChIInChI=1S/C10H17N3O/c1-4-13-8(2)12-7-9(10(13)14)5-6-11-3/h7,11H,4-6H2,1-3H3
InChIKeyGJXGIQDIYZHPGT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.33
Rot. Bonds4

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

3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 83879429) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID83879429
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCCn1c(C)ncc(CCNC)c1=O
InChIInChI=1S/C10H17N3O/c1-4-13-8(2)12-7-9(10(13)14)5-6-11-3/h7,11H,4-6H2,1-3H3
InChIKeyGJXGIQDIYZHPGT-UHFFFAOYSA-N
XLogP0.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Allyl-6-diethylamino-2-methyl-pyrimidin-4-ol
CID 135457119
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-Ethyl-2,3-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334367
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
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one (CID 83879429) is 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one is CCn1c(C)ncc(CCNC)c1=O.
What is the InChIKey of 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is GJXGIQDIYZHPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13-8(2)12-7-9(10(13)14)5-6-11-3/h7,11H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one?
3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 83879429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).