N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

C18H24N4O3 — CID 112912114

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(OCCNc2nc(C)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-14-13-17(22-8-11-24-12-9-22)21-18(20-14)19-7-10-25-16-5-3-15(23-2)4-6-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,21)
InChIKeyOZBCIYLQXHRLFL-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 112912114) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID112912114
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(OCCNc2nc(C)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-14-13-17(22-8-11-24-12-9-22)21-18(20-14)19-7-10-25-16-5-3-15(23-2)4-6-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,21)
InChIKeyOZBCIYLQXHRLFL-UHFFFAOYSA-N
XLogP2.12
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.12
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-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944091
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
4-butoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075509
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-pentoxybenzamide
CID 122295213
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
1-[(4-methoxyphenyl)methyl]-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100781282
3,4,5-trimethoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075232
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
CID 121075524
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (CID 112912114) is N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is COc1ccc(OCCNc2nc(C)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is OZBCIYLQXHRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-13-17(22-8-11-24-12-9-22)21-18(20-14)19-7-10-25-16-5-3-15(23-2)4-6-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 2.12, 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]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 112912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).