N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C16H21N3O2 — CID 83187491

IUPACN-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(OC)cc2)nc1C
InChIInChI=1S/C16H21N3O2/c1-4-9-17-10-13-11-18-16(19-12(13)2)21-15-7-5-14(20-3)6-8-15/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyOTUDMNGWZPOAQC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds7

About N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83187491) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83187491
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(OC)cc2)nc1C
InChIInChI=1S/C16H21N3O2/c1-4-9-17-10-13-11-18-16(19-12(13)2)21-15-7-5-14(20-3)6-8-15/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyOTUDMNGWZPOAQC-UHFFFAOYSA-N
XLogP3.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N-[[2-(3,4-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188179
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621
N-[[2-(3,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187362
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186831
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189344
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 83187491) is N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccc(OC)cc2)nc1C.
What is the InChIKey of N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is OTUDMNGWZPOAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-17-10-13-11-18-16(19-12(13)2)21-15-7-5-14(20-3)6-8-15/h5-8,11,17H,4,9-10H2,1-3H3.
What are the key properties of N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83187491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).