4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one

C10H15N3O — CID 83818309

IUPAC4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one
SMILESCNCCCC(=O)c1cnc(C)nc1
InChIInChI=1S/C10H15N3O/c1-8-12-6-9(7-13-8)10(14)4-3-5-11-2/h6-7,11H,3-5H2,1-2H3
InChIKeyBDPPUANSSFUVNK-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.97
Rot. Bonds5

About 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one

4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one (PubChem CID 83818309) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one
PubChem CID83818309
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one
SMILESCNCCCC(=O)c1cnc(C)nc1
InChIInChI=1S/C10H15N3O/c1-8-12-6-9(7-13-8)10(14)4-3-5-11-2/h6-7,11H,3-5H2,1-2H3
InChIKeyBDPPUANSSFUVNK-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
1-(3-fluoro-5-methylphenyl)-4-(methylamino)butan-1-one
CID 116555569
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
4-(methylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784647
1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one
CID 116915878
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
iodo 2-methylpyrimidine-5-carboxylate
CID 147193556
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
1-(4-amino-5-methylpyrazol-1-yl)-4-(methylamino)butan-1-one
CID 83618122

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one?
The IUPAC name of 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one (CID 83818309) is 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one?
The canonical SMILES for 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one is CNCCCC(=O)c1cnc(C)nc1.
What is the InChIKey of 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one?
The InChIKey is BDPPUANSSFUVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-12-6-9(7-13-8)10(14)4-3-5-11-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one?
4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(2-methylpyrimidin-5-yl)butan-1-one is sourced from PubChem (CID 83818309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).