N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

C22H24N4O — CID 112880553

IUPACN-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-2-17-8-6-7-11-19(17)23-20-16-21(26-12-14-27-15-13-26)25-22(24-20)18-9-4-3-5-10-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25)
InChIKeyZLMSDNVBOTUCTN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.29
Rot. Bonds5

About N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112880553) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112880553
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-2-17-8-6-7-11-19(17)23-20-16-21(26-12-14-27-15-13-26)25-22(24-20)18-9-4-3-5-10-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25)
InChIKeyZLMSDNVBOTUCTN-UHFFFAOYSA-N
XLogP4.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
4-[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881087
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
4-[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871069

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112880553) is N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is CCc1ccccc1Nc1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is ZLMSDNVBOTUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-17-8-6-7-11-19(17)23-20-16-21(26-12-14-27-15-13-26)25-22(24-20)18-9-4-3-5-10-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25).
What are the key properties of N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).