3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine

C16H21N3O — CID 70876394

IUPAC3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
SMILESCCc1cccc(-c2ncc(OCCCNC)cn2)c1
InChIInChI=1S/C16H21N3O/c1-3-13-6-4-7-14(10-13)16-18-11-15(12-19-16)20-9-5-8-17-2/h4,6-7,10-12,17H,3,5,8-9H2,1-2H3
InChIKeyTUVCGXHIQSFXOP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds7

About 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine

3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine (PubChem CID 70876394) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
PubChem CID70876394
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
SMILESCCc1cccc(-c2ncc(OCCCNC)cn2)c1
InChIInChI=1S/C16H21N3O/c1-3-13-6-4-7-14(10-13)16-18-11-15(12-19-16)20-9-5-8-17-2/h4,6-7,10-12,17H,3,5,8-9H2,1-2H3
InChIKeyTUVCGXHIQSFXOP-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
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

3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231174
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
2-[3-(chloromethyl)phenyl]-5-ethoxypyrimidine
CID 166876965
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
CID 117231271
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
CID 145261843
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
1-[2-(3-ethylphenyl)pyrimidin-5-yl]but-1-en-1-amine
CID 143740480
N-methyl-3-phenoxypropan-1-amine
CID 22067856

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine (CID 70876394) is 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine is CCc1cccc(-c2ncc(OCCCNC)cn2)c1.
What is the InChIKey of 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine?
The InChIKey is TUVCGXHIQSFXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13-6-4-7-14(10-13)16-18-11-15(12-19-16)20-9-5-8-17-2/h4,6-7,10-12,17H,3,5,8-9H2,1-2H3.
What are the key properties of 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine?
3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 70876394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).