1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride

C16H21ClN4O — CID 82021927

IUPAC1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(-c2ccnc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12(17)13-2-4-14(5-3-13)15-6-7-18-16(19-15)20-8-10-21-11-9-20;/h2-7,12H,8-11,17H2,1H3;1H
InChIKeyASEUUMNSCCLMLG-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride

1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride (PubChem CID 82021927) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride
PubChem CID82021927
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(-c2ccnc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12(17)13-2-4-14(5-3-13)15-6-7-18-16(19-15)20-8-10-21-11-9-20;/h2-7,12H,8-11,17H2,1H3;1H
InChIKeyASEUUMNSCCLMLG-UHFFFAOYSA-N
XLogP2.42
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethanamine;hydrochloride
CID 82021929
1-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethanamine
CID 82021930
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline
CID 163305256
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
CID 50983209
4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
CID 66493906
2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
CID 83897522
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
CID 62747047
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278590

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride (CID 82021927) is 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride is CC(N)c1ccc(-c2ccnc(N3CCOCC3)n2)cc1.Cl.
What is the InChIKey of 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride?
The InChIKey is ASEUUMNSCCLMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-12(17)13-2-4-14(5-3-13)15-6-7-18-16(19-15)20-8-10-21-11-9-20;/h2-7,12H,8-11,17H2,1H3;1H.
What are the key properties of 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride?
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 82021927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).