4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C19H22FN5O3S — CID 118615810

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C19H22FN5O3S/c1-10-8-25(9-11(2)28-10)19-16-15(22-12(3)23-19)17(18(21)24-16)29(26,27)14-7-5-4-6-13(14)20/h4-7,10-11,24H,8-9,21H2,1-3H3/t10-,11+
InChIKeyFFKYPPBXLPNOOV-PHIMTYICSA-N
MW419.48 g/mol
LogP2.43
Rot. Bonds3

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118615810) has the molecular formula C19H22FN5O3S and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118615810
Molecular FormulaC19H22FN5O3S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C19H22FN5O3S/c1-10-8-25(9-11(2)28-10)19-16-15(22-12(3)23-19)17(18(21)24-16)29(26,27)14-7-5-4-6-13(14)20/h4-7,10-11,24H,8-9,21H2,1-3H3/t10-,11+
InChIKeyFFKYPPBXLPNOOV-PHIMTYICSA-N
XLogP2.43
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118615810) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is FFKYPPBXLPNOOV-PHIMTYICSA-N. The full InChI is InChI=1S/C19H22FN5O3S/c1-10-8-25(9-11(2)28-10)19-16-15(22-12(3)23-19)17(18(21)24-16)29(26,27)14-7-5-4-6-13(14)20/h4-7,10-11,24H,8-9,21H2,1-3H3/t10-,11+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 419.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118615810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).