4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine

C19H23N5OS — CID 143742170

IUPAC4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
SMILESCSC(C)(C)c1cc(N2CCOCC2)nc(-c2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,26-3)15-11-16(24-6-8-25-9-7-24)23-18(22-15)14-10-13-4-5-20-17(13)21-12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,21)
InChIKeyABNQQGHWFFVSMD-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.45
Rot. Bonds4

About 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine

4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine (PubChem CID 143742170) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
PubChem CID143742170
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
SMILESCSC(C)(C)c1cc(N2CCOCC2)nc(-c2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,26-3)15-11-16(24-6-8-25-9-7-24)23-18(22-15)14-10-13-4-5-20-17(13)21-12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,21)
InChIKeyABNQQGHWFFVSMD-UHFFFAOYSA-N
XLogP3.45
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
(3S)-3-methyl-4-[6-(2-methylsulfonylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 25175884
4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 143572306
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 59592837
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 143572067
(4-methylpiperazin-1-yl)-[3-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 59592999
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidine
CID 24995736
ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline
CID 143633131
4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine
CID 143633107
2,6-difluoro-N-[2-fluoro-3-[8-methoxy-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-6-yl]phenyl]benzenesulfinamide
CID 138479743
4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
CID 58137143

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine (CID 143742170) is 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine is CSC(C)(C)c1cc(N2CCOCC2)nc(-c2cnc3[nH]ccc3c2)n1.
What is the InChIKey of 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
The InChIKey is ABNQQGHWFFVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-19(2,26-3)15-11-16(24-6-8-25-9-7-24)23-18(22-15)14-10-13-4-5-20-17(13)21-12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,21).
What are the key properties of 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143742170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).