2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone

C16H19N3O2 — CID 54407431

IUPAC2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone
SMILESCNC(C)COc1cnc(CC(=O)c2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-12(17-2)11-21-14-9-18-16(19-10-14)8-15(20)13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3
InChIKeyVRSHEOGBAXTQRQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.89
Rot. Bonds7

About 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone

2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone (PubChem CID 54407431) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone
PubChem CID54407431
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone
SMILESCNC(C)COc1cnc(CC(=O)c2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-12(17-2)11-21-14-9-18-16(19-10-14)8-15(20)13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3
InChIKeyVRSHEOGBAXTQRQ-UHFFFAOYSA-N
XLogP1.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2S)-2-(methylamino)propoxy]benzoate
CID 67404569
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
CID 117231190
2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol
CID 117230221
1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
CID 22258161
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
CID 161260305
benzoic acid;1-phenoxypropan-2-ol
CID 70185912
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone (CID 54407431) is 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone is CNC(C)COc1cnc(CC(=O)c2ccccc2)nc1.
What is the InChIKey of 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone?
The InChIKey is VRSHEOGBAXTQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(17-2)11-21-14-9-18-16(19-10-14)8-15(20)13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3.
What are the key properties of 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone?
2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone has a molecular weight of 285.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 54407431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).