[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine

C13H22N4O — CID 125436137

IUPAC[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESCCc1c(C)nc(C)nc1N1CCO[C@@H](CN)C1
InChIInChI=1S/C13H22N4O/c1-4-12-9(2)15-10(3)16-13(12)17-5-6-18-11(7-14)8-17/h11H,4-8,14H2,1-3H3/t11-/m0/s1
InChIKeyQEKLKZYNSUDINU-NSHDSACASA-N
MW250.35 g/mol
LogP0.82
Rot. Bonds3

About [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine

[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine (PubChem CID 125436137) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine
PubChem CID125436137
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESCCc1c(C)nc(C)nc1N1CCO[C@@H](CN)C1
InChIInChI=1S/C13H22N4O/c1-4-12-9(2)15-10(3)16-13(12)17-5-6-18-11(7-14)8-17/h11H,4-8,14H2,1-3H3/t11-/m0/s1
InChIKeyQEKLKZYNSUDINU-NSHDSACASA-N
XLogP0.82
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine with MolForge

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Related Compounds

[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
2-(morpholin-4-ylmethyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
CID 146148962
3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 114399299
[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
CID 112634676
[5,6-diethyl-3-(2-ethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80507595
[4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine
CID 65209424
[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70780228
(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
CID 72938714
2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride
CID 154907691
[4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanamine
CID 79718053
4-[2-(aminomethyl)morpholin-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 114399300
S-ethyl 2-[2-(aminomethyl)morpholin-4-yl]pyrimidine-5-carbothioate
CID 143330598

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine (CID 125436137) is [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine is CCc1c(C)nc(C)nc1N1CCO[C@@H](CN)C1.
What is the InChIKey of [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine?
The InChIKey is QEKLKZYNSUDINU-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-12-9(2)15-10(3)16-13(12)17-5-6-18-11(7-14)8-17/h11H,4-8,14H2,1-3H3/t11-/m0/s1.
What are the key properties of [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine?
[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 125436137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).