N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine

C17H22N4O2 — CID 112886388

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccccc1CCNc1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H22N4O2/c1-22-15-5-3-2-4-14(15)6-8-18-17-19-9-7-16(20-17)21-10-12-23-13-11-21/h2-5,7,9H,6,8,10-13H2,1H3,(H,18,19,20)
InChIKeyVNEAAZBWZWJKPA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine

N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 112886388) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID112886388
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccccc1CCNc1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H22N4O2/c1-22-15-5-3-2-4-14(15)6-8-18-17-19-9-7-16(20-17)21-10-12-23-13-11-21/h2-5,7,9H,6,8,10-13H2,1H3,(H,18,19,20)
InChIKeyVNEAAZBWZWJKPA-UHFFFAOYSA-N
XLogP1.98
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
4-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888513
N-[(2-methoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112892285
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 155812807

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 112886388) is N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine is COc1ccccc1CCNc1nccc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is VNEAAZBWZWJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-15-5-3-2-4-14(15)6-8-18-17-19-9-7-16(20-17)21-10-12-23-13-11-21/h2-5,7,9H,6,8,10-13H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 112886388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).