2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine

C13H22N4O — CID 97187203

IUPAC2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
SMILESCC(C)c1ccnc(N2CCO[C@H](CCN)C2)n1
InChIInChI=1S/C13H22N4O/c1-10(2)12-4-6-15-13(16-12)17-7-8-18-11(9-17)3-5-14/h4,6,10-11H,3,5,7-9,14H2,1-2H3/t11-/m1/s1
InChIKeyJGCCNVNFZHWMCI-LLVKDONJSA-N
MW250.35 g/mol
LogP1.15
Rot. Bonds4

About 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine

2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine (PubChem CID 97187203) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
PubChem CID97187203
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
SMILESCC(C)c1ccnc(N2CCO[C@H](CCN)C2)n1
InChIInChI=1S/C13H22N4O/c1-10(2)12-4-6-15-13(16-12)17-7-8-18-11(9-17)3-5-14/h4,6,10-11H,3,5,7-9,14H2,1-2H3/t11-/m1/s1
InChIKeyJGCCNVNFZHWMCI-LLVKDONJSA-N
XLogP1.15
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95875869
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 170581392
2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 123528373
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-2-yl]methanamine
CID 116976328
2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
CID 82308317
N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110114051
N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110094509
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine (CID 97187203) is 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine is CC(C)c1ccnc(N2CCO[C@H](CCN)C2)n1.
What is the InChIKey of 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine?
The InChIKey is JGCCNVNFZHWMCI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)12-4-6-15-13(16-12)17-7-8-18-11(9-17)3-5-14/h4,6,10-11H,3,5,7-9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine?
2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine has a molecular weight of 250.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 97187203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).