(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine

C15H23N3O3S — CID 141272787

IUPAC(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)ncn2)CC1
InChIInChI=1S/C15H23N3O3S/c1-11(2)22(19,20)15(4-5-15)13-8-14(17-10-16-13)18-6-7-21-9-12(18)3/h8,10-12H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyINNJBJRFLRBQAD-GFCCVEGCSA-N
MW325.43 g/mol
LogP1.51
Rot. Bonds4

About (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine

(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine (PubChem CID 141272787) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
PubChem CID141272787
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)ncn2)CC1
InChIInChI=1S/C15H23N3O3S/c1-11(2)22(19,20)15(4-5-15)13-8-14(17-10-16-13)18-6-7-21-9-12(18)3/h8,10-12H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyINNJBJRFLRBQAD-GFCCVEGCSA-N
XLogP1.51
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141272792
4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
CID 75184871
CID 167996467
CID 167996467
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
CID 171463158
(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141203702
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
CID 173214634
(3S)-4-[6-[2-(4-chlorophenyl)sulfonylpropan-2-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 141203751
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
CID 170305517
imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane
CID 166756227
dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
CID 173214970

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine (CID 141272787) is (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine is CC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)ncn2)CC1.
What is the InChIKey of (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The InChIKey is INNJBJRFLRBQAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(2)22(19,20)15(4-5-15)13-8-14(17-10-16-13)18-6-7-21-9-12(18)3/h8,10-12H,4-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine has a molecular weight of 325.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 141272787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).