N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine

C22H24N4O — CID 59340658

IUPACN-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-7-18(8-4-1)20-17-21(23-11-12-26-13-15-27-16-14-26)25-22(24-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24,25)
InChIKeyVDCAYBIWKWPFDZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.55
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine

N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine (PubChem CID 59340658) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
PubChem CID59340658
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-7-18(8-4-1)20-17-21(23-11-12-26-13-15-27-16-14-26)25-22(24-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24,25)
InChIKeyVDCAYBIWKWPFDZ-UHFFFAOYSA-N
XLogP3.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine (CID 59340658) is N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine is c1ccc(-c2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine?
The InChIKey is VDCAYBIWKWPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-7-18(8-4-1)20-17-21(23-11-12-26-13-15-27-16-14-26)25-22(24-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 59340658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).