(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine

C20H30N6O — CID 167986801

IUPAC(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1cn(C(CC2CCCCC2)c2ncccn2)nn1
InChIInChI=1S/C20H30N6O/c1-16-15-27-11-10-25(16)13-18-14-26(24-23-18)19(20-21-8-5-9-22-20)12-17-6-3-2-4-7-17/h5,8-9,14,16-17,19H,2-4,6-7,10-13,15H2,1H3/t16-,19?/m1/s1
InChIKeyXLGOQXLCTVFGHG-VTBWFHPJSA-N
MW370.50 g/mol
LogP2.85
Rot. Bonds6

About (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine

(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine (PubChem CID 167986801) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine
PubChem CID167986801
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1cn(C(CC2CCCCC2)c2ncccn2)nn1
InChIInChI=1S/C20H30N6O/c1-16-15-27-11-10-25(16)13-18-14-26(24-23-18)19(20-21-8-5-9-22-20)12-17-6-3-2-4-7-17/h5,8-9,14,16-17,19H,2-4,6-7,10-13,15H2,1H3/t16-,19?/m1/s1
InChIKeyXLGOQXLCTVFGHG-VTBWFHPJSA-N
XLogP2.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine with MolForge

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Related Compounds

N-[[1-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]pyrazol-3-yl]methyl]ethanamine
CID 166241858
(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine
CID 138051960
(3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
CID 167937728
(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
CID 154787561
(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine
CID 139019631
(3R)-4-[[1-[(3-chloro-4-pyridinyl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
CID 136585133
4-[(3-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882280
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
N-methyl-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242723
1-cyclopentyl-N-methyl-2-(3-methylmorpholin-4-yl)ethanamine
CID 104744784

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine (CID 167986801) is (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine is C[C@@H]1COCCN1Cc1cn(C(CC2CCCCC2)c2ncccn2)nn1.
What is the InChIKey of (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine?
The InChIKey is XLGOQXLCTVFGHG-VTBWFHPJSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16-15-27-11-10-25(16)13-18-14-26(24-23-18)19(20-21-8-5-9-22-20)12-17-6-3-2-4-7-17/h5,8-9,14,16-17,19H,2-4,6-7,10-13,15H2,1H3/t16-,19?/m1/s1.
What are the key properties of (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine?
(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine has a molecular weight of 370.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine is sourced from PubChem (CID 167986801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).