(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine

C16H26N4O2 — CID 141203774

IUPAC(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1cc(COC2CCN(C)CC2)ncn1
InChIInChI=1S/C16H26N4O2/c1-13-10-21-8-7-20(13)16-9-14(17-12-18-16)11-22-15-3-5-19(2)6-4-15/h9,12-13,15H,3-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyLCHDSJPVPABYOH-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.31
Rot. Bonds4

About (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine

(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine (PubChem CID 141203774) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine
PubChem CID141203774
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1cc(COC2CCN(C)CC2)ncn1
InChIInChI=1S/C16H26N4O2/c1-13-10-21-8-7-20(13)16-9-14(17-12-18-16)11-22-15-3-5-19(2)6-4-15/h9,12-13,15H,3-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyLCHDSJPVPABYOH-ZDUSSCGKSA-N
XLogP1.31
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141203702
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105610
(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141272792
(3S)-3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 158527242
(3R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 159666333
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104201
[4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83095664
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
N-methyl-1-[4-(6-methylpyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83105368
tert-butyl N-[8-bromo-6-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178009170

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine (CID 141203774) is (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine is C[C@H]1COCCN1c1cc(COC2CCN(C)CC2)ncn1.
What is the InChIKey of (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine?
The InChIKey is LCHDSJPVPABYOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-10-21-8-7-20(13)16-9-14(17-12-18-16)11-22-15-3-5-19(2)6-4-15/h9,12-13,15H,3-8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine?
(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine has a molecular weight of 306.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 141203774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).