N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C17H22N4O2 — CID 659632

IUPACN-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-23-15-6-4-14(5-7-15)19-16-12-13(2)18-17(20-16)21-8-10-22-11-9-21/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeyMOPXOUCQMKVGAY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.76
Rot. Bonds5

About N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 659632) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID659632
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-23-15-6-4-14(5-7-15)19-16-12-13(2)18-17(20-16)21-8-10-22-11-9-21/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeyMOPXOUCQMKVGAY-UHFFFAOYSA-N
XLogP2.76
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 659632) is N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is CCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MOPXOUCQMKVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-23-15-6-4-14(5-7-15)19-16-12-13(2)18-17(20-16)21-8-10-22-11-9-21/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 659632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).