1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one

C14H15N3O — CID 70811148

IUPAC1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
SMILESCC(=O)C(Nc1nccc(C)n1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-9-15-14(16-10)17-13(11(2)18)12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,15,16,17)
InChIKeyMUEDKNQPBAISPE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds4

About 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one

1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one (PubChem CID 70811148) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
PubChem CID70811148
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
SMILESCC(=O)C(Nc1nccc(C)n1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-9-15-14(16-10)17-13(11(2)18)12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,15,16,17)
InChIKeyMUEDKNQPBAISPE-UHFFFAOYSA-N
XLogP2.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
CID 65029267
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine
CID 146429421
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
1-benzhydryl-3-(4-methylpyrimidin-2-yl)thiourea
CID 100559570

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one?
The IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one (CID 70811148) is 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one.
What is the SMILES notation for 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one?
The canonical SMILES for 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one is CC(=O)C(Nc1nccc(C)n1)c1ccccc1.
What is the InChIKey of 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one?
The InChIKey is MUEDKNQPBAISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-8-9-15-14(16-10)17-13(11(2)18)12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,15,16,17).
What are the key properties of 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one?
1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one is sourced from PubChem (CID 70811148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).