7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C19H17N5O3S — CID 129187085

IUPAC7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESC[C@@H](Oc1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12)c1ccccn1
InChIInChI=1S/C19H17N5O3S/c1-12(14-9-5-6-10-21-14)27-19-16-15(22-11-23-19)17(18(20)24-16)28(25,26)13-7-3-2-4-8-13/h2-12,24H,20H2,1H3/t12-/m1/s1
InChIKeyYHTAGANRCKMFTF-GFCCVEGCSA-N
MW395.44 g/mol
LogP2.91
Rot. Bonds5

About 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 129187085) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID129187085
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESC[C@@H](Oc1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12)c1ccccn1
InChIInChI=1S/C19H17N5O3S/c1-12(14-9-5-6-10-21-14)27-19-16-15(22-11-23-19)17(18(20)24-16)28(25,26)13-7-3-2-4-8-13/h2-12,24H,20H2,1H3/t12-/m1/s1
InChIKeyYHTAGANRCKMFTF-GFCCVEGCSA-N
XLogP2.91
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 129187085) is 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is C[C@@H](Oc1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12)c1ccccn1.
What is the InChIKey of 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is YHTAGANRCKMFTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-12(14-9-5-6-10-21-14)27-19-16-15(22-11-23-19)17(18(20)24-16)28(25,26)13-7-3-2-4-8-13/h2-12,24H,20H2,1H3/t12-/m1/s1.
What are the key properties of 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 395.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-[(1R)-1-pyridin-2-ylethoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 129187085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).