(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C17H26N4O3S — CID 141272792

IUPAC(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CCNCC2)ncn1
InChIInChI=1S/C17H26N4O3S/c1-13-11-24-9-8-21(13)16-10-15(19-12-20-16)17(4-6-18-7-5-17)25(22,23)14-2-3-14/h10,12-14,18H,2-9,11H2,1H3/t13-/m1/s1
InChIKeyZZVMONPWDGVPHL-CYBMUJFWSA-N
MW366.49 g/mol
LogP0.86
Rot. Bonds4

About (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 141272792) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID141272792
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CCNCC2)ncn1
InChIInChI=1S/C17H26N4O3S/c1-13-11-24-9-8-21(13)16-10-15(19-12-20-16)17(4-6-18-7-5-17)25(22,23)14-2-3-14/h10,12-14,18H,2-9,11H2,1H3/t13-/m1/s1
InChIKeyZZVMONPWDGVPHL-CYBMUJFWSA-N
XLogP0.86
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
CID 167996467
CID 167996467
1-cyclopropyl-3-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]urea
CID 76561296
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141203702
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
CID 171463158
(3S)-4-[6-[2-(4-chlorophenyl)sulfonylpropan-2-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 141203751
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
CID 170305517
(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine
CID 141203774
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
1-[4-[4-(1-cyclopentylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-propylurea
CID 68955563

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 141272792) is (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CCNCC2)ncn1.
What is the InChIKey of (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is ZZVMONPWDGVPHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-13-11-24-9-8-21(13)16-10-15(19-12-20-16)17(4-6-18-7-5-17)25(22,23)14-2-3-14/h10,12-14,18H,2-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 366.49 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 141272792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).