(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine

C17H28N4O3 — CID 95123943

IUPAC(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
SMILESCCc1cc(N2CCO[C@@H](CCOC)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H28N4O3/c1-3-14-12-16(19-17(18-14)20-5-9-23-10-6-20)21-7-11-24-15(13-21)4-8-22-2/h12,15H,3-11,13H2,1-2H3/t15-/m0/s1
InChIKeyQRRNHKVBDXBTJZ-HNNXBMFYSA-N
MW336.44 g/mol
LogP1.12
Rot. Bonds6

About (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine

(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine (PubChem CID 95123943) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
PubChem CID95123943
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
SMILESCCc1cc(N2CCO[C@@H](CCOC)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H28N4O3/c1-3-14-12-16(19-17(18-14)20-5-9-23-10-6-20)21-7-11-24-15(13-21)4-8-22-2/h12,15H,3-11,13H2,1-2H3/t15-/m0/s1
InChIKeyQRRNHKVBDXBTJZ-HNNXBMFYSA-N
XLogP1.12
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine with MolForge

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Related Compounds

(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-methylpiperazine-2-carboxylic acid
CID 95200887
(3S,8aR)-2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137334835
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 154897896
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50962400
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 72893953
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
CID 135087231
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 97281088
4-ethyl-6-(2-methoxyethyl)-2-piperidin-1-ylpyrimidine
CID 72847818

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The IUPAC name of (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine (CID 95123943) is (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine.
What is the SMILES notation for (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The canonical SMILES for (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine is CCc1cc(N2CCO[C@@H](CCOC)C2)nc(N2CCOCC2)n1.
What is the InChIKey of (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The InChIKey is QRRNHKVBDXBTJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-14-12-16(19-17(18-14)20-5-9-23-10-6-20)21-7-11-24-15(13-21)4-8-22-2/h12,15H,3-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine has a molecular weight of 336.44 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine is sourced from PubChem (CID 95123943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).