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

C17H22N4O2 — CID 112886390

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-22-15-4-2-14(3-5-15)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)
InChIKeyYSKVOJICEAPLOW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.98
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 112886390) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID112886390
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-22-15-4-2-14(3-5-15)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)
InChIKeyYSKVOJICEAPLOW-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-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
ethyl 4-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carboxylate
CID 112895472
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976897
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912114
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193922

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 112886390) is N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine is COc1ccc(CCNc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is YSKVOJICEAPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-15-4-2-14(3-5-15)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-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[2-(4-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-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 112886390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).