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

C17H22N4O — CID 112912314

IUPACN-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22N4O/c1-3-14-6-4-5-7-15(14)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)
InChIKeyFACRKZHKGIFCJR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.93
Rot. Bonds4

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

N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112912314) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID112912314
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22N4O/c1-3-14-6-4-5-7-15(14)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)
InChIKeyFACRKZHKGIFCJR-UHFFFAOYSA-N
XLogP2.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis(2-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955718
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912329
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 112912314) is N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is CCc1ccccc1Nc1cc(C)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is FACRKZHKGIFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-14-6-4-5-7-15(14)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-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112912314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).