(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

C23H31N5O2S — CID 26356129

IUPAC(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1
InChIInChI=1S/C23H31N5O2S/c1-17-14-25-23(31-16-20-7-3-4-8-24-20)26-21(17)19-6-5-9-28(15-19)22(29)18(2)27-10-12-30-13-11-27/h3-4,7-8,14,18-19H,5-6,9-13,15-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyPXFXBEXFRKJKBC-RTBURBONSA-N
MW441.60 g/mol
LogP2.90
Rot. Bonds6

About (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 26356129) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID26356129
Molecular FormulaC23H31N5O2S
Molecular Weight441.60 g/mol
Exact Mass441.22
IUPAC Name(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1
InChIInChI=1S/C23H31N5O2S/c1-17-14-25-23(31-16-20-7-3-4-8-24-20)26-21(17)19-6-5-9-28(15-19)22(29)18(2)27-10-12-30-13-11-27/h3-4,7-8,14,18-19H,5-6,9-13,15-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyPXFXBEXFRKJKBC-RTBURBONSA-N
XLogP2.90
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methoxy-1-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 42406488
[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 45166426
2-(3-methoxyphenyl)-1-[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 45170036
5-methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
(2S)-1-[(3R)-3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 29258174
4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine
CID 45174456
2-(2-chlorophenoxy)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 45226159
2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 110234494
1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 45238930
(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276264
2-[(3R)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-4-one
CID 42210971
3-(4-fluorophenyl)-1-[3-[5-methyl-2-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 74583256

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 26356129) is (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1.
What is the InChIKey of (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is PXFXBEXFRKJKBC-RTBURBONSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-17-14-25-23(31-16-20-7-3-4-8-24-20)26-21(17)19-6-5-9-28(15-19)22(29)18(2)27-10-12-30-13-11-27/h3-4,7-8,14,18-19H,5-6,9-13,15-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 441.60 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 26356129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).