N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine

C15H19N3O2 — CID 66329980

IUPACN-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCOc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O2/c1-2-9-20-15-11-14(17-12-18-15)16-8-10-19-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,16,17,18)
InChIKeyVAMGTOXTBZBEHF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.76
Rot. Bonds8

About N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine

N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine (PubChem CID 66329980) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
PubChem CID66329980
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCOc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O2/c1-2-9-20-15-11-14(17-12-18-15)16-8-10-19-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,16,17,18)
InChIKeyVAMGTOXTBZBEHF-UHFFFAOYSA-N
XLogP2.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.76
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

6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66329398
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine (CID 66329980) is N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NCCOc2ccccc2)ncn1.
What is the InChIKey of N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine?
The InChIKey is VAMGTOXTBZBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-20-15-11-14(17-12-18-15)16-8-10-19-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,16,17,18).
What are the key properties of N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine?
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66329980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).