1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine

C16H27N5O2 — CID 95328398

IUPAC1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
SMILESCCN1CCO[C@H](C1)CNCC2=CN=C(N=C2)N3CCOCC3
InChIInChI=1S/C16H27N5O2/c1-2-20-3-8-23-15(13-20)12-17-9-14-10-18-16(19-11-14)21-4-6-22-7-5-21/h10-11,15,17H,2-9,12-13H2,1H3/t15-/m0/s1
InChIKeyUFONSVMKDIXIGX-HNNXBMFYSA-N
MW321.42 g/mol
LogP-0.20
Rot. Bonds6

About 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine

1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 95328398) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID95328398
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
SMILESCCN1CCO[C@H](C1)CNCC2=CN=C(N=C2)N3CCOCC3
InChIInChI=1S/C16H27N5O2/c1-2-20-3-8-23-15(13-20)12-17-9-14-10-18-16(19-11-14)21-4-6-22-7-5-21/h10-11,15,17H,2-9,12-13H2,1H3/t15-/m0/s1
InChIKeyUFONSVMKDIXIGX-HNNXBMFYSA-N
XLogP-0.20
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity332

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
5-Methyl-2-(piperidin-4-yloxy)pyrimidine
CID 63206054
3-[[2-(Methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 56886496
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
4-(5-Methylpyrimidin-2-YL)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 72848462
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-(4-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}piperazin-1-YL)-5-methylpyrimidin-4-amine
CID 56716702
1-(4-Methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
CID 56799664
3-Methyl-4-[5-methyl-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]morpholine
CID 71863715

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine (CID 95328398) is 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine is CCN1CCO[C@H](C1)CNCC2=CN=C(N=C2)N3CCOCC3.
What is the InChIKey of 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is UFONSVMKDIXIGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-2-20-3-8-23-15(13-20)12-17-9-14-10-18-16(19-11-14)21-4-6-22-7-5-21/h10-11,15,17H,2-9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 321.42 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 95328398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).