3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one

C10H15N3O — CID 116565208

IUPAC3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one
SMILESCCNCC(C)C(=O)c1cncnc1
InChIInChI=1S/C10H15N3O/c1-3-11-4-8(2)10(14)9-5-12-7-13-6-9/h5-8,11H,3-4H2,1-2H3
InChIKeyPFADDJQAEQVCPY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.90
Rot. Bonds5

About 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one

3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one (PubChem CID 116565208) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one
PubChem CID116565208
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one
SMILESCCNCC(C)C(=O)c1cncnc1
InChIInChI=1S/C10H15N3O/c1-3-11-4-8(2)10(14)9-5-12-7-13-6-9/h5-8,11H,3-4H2,1-2H3
InChIKeyPFADDJQAEQVCPY-UHFFFAOYSA-N
XLogP0.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
2-hydroxy-1-pyrimidin-5-ylbutan-1-one
CID 103452977
3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one
CID 116565290
1-pyrimidin-5-yl-2-sulfanylpropan-1-one
CID 138607696
2-propyl-1-pyrimidin-5-ylpentan-1-one
CID 114965876
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
N-ethyl-2-methyl-3-pyrimidin-5-ylpropan-1-amine
CID 64665606
3-(ethylamino)-2-methyl-N-pyrazin-2-ylpropanamide
CID 62853429
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
CID 116565139
N'-ethylpyrimidine-5-carbohydrazide
CID 140545121
3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
CID 63672051

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one (CID 116565208) is 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one is CCNCC(C)C(=O)c1cncnc1.
What is the InChIKey of 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one?
The InChIKey is PFADDJQAEQVCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-11-4-8(2)10(14)9-5-12-7-13-6-9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one?
3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 116565208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).