5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine

C17H21N7O3S — CID 118720889

IUPAC5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)cc2c1ncn2CS(C)(=O)=O
InChIInChI=1S/C17H21N7O3S/c1-11-8-27-4-3-24(11)16-15-14(23(9-21-15)10-28(2,25)26)5-13(22-16)12-6-19-17(18)20-7-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)/t11-/m1/s1
InChIKeyAARCMYCIIFVXLZ-LLVKDONJSA-N
MW403.47 g/mol
LogP0.70
Rot. Bonds4

About 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine

5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine (PubChem CID 118720889) has the molecular formula C17H21N7O3S and a molecular weight of 403.47 g/mol. Its IUPAC name is 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine
PubChem CID118720889
Molecular FormulaC17H21N7O3S
Molecular Weight403.47 g/mol
Exact Mass403.14
IUPAC Name5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)cc2c1ncn2CS(C)(=O)=O
InChIInChI=1S/C17H21N7O3S/c1-11-8-27-4-3-24(11)16-15-14(23(9-21-15)10-28(2,25)26)5-13(22-16)12-6-19-17(18)20-7-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)/t11-/m1/s1
InChIKeyAARCMYCIIFVXLZ-LLVKDONJSA-N
XLogP0.70
TPSA129.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine (CID 118720889) is 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine is C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)cc2c1ncn2CS(C)(=O)=O.
What is the InChIKey of 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine?
The InChIKey is AARCMYCIIFVXLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N7O3S/c1-11-8-27-4-3-24(11)16-15-14(23(9-21-15)10-28(2,25)26)5-13(22-16)12-6-19-17(18)20-7-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)/t11-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine?
5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine has a molecular weight of 403.47 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-methylmorpholin-4-yl]-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 118720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).