N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

C17H22N4O3 — CID 112886594

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O3/c1-22-14-2-4-15(5-3-14)24-11-8-18-16-6-7-19-17(20-16)21-9-12-23-13-10-21/h2-7H,8-13H2,1H3,(H,18,19,20)
InChIKeyXFJUIWACVKSOGP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112886594) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID112886594
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O3/c1-22-14-2-4-15(5-3-14)24-11-8-18-16-6-7-19-17(20-16)21-9-12-23-13-10-21/h2-7H,8-13H2,1H3,(H,18,19,20)
InChIKeyXFJUIWACVKSOGP-UHFFFAOYSA-N
XLogP1.81
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081146
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912114
N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944091
2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 133345400
N-[2-(4-methoxyphenoxy)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942061
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672450

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 112886594) is N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(OCCNc2ccnc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is XFJUIWACVKSOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-22-14-2-4-15(5-3-14)24-11-8-18-16-6-7-19-17(20-16)21-9-12-23-13-10-21/h2-7H,8-13H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112886594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).