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

C19H21F2N5O3S — CID 118610758

IUPAC7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(N2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3F)c2n1
InChIInChI=1S/C19H21F2N5O3S/c1-10-23-14-15(18(24-10)26-7-8-29-19(2,3)9-26)25-17(22)16(14)30(27,28)12-6-4-5-11(20)13(12)21/h4-6,25H,7-9,22H2,1-3H3
InChIKeyMTKHOZHCFHWVNP-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.57
Rot. Bonds3

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

7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610758) has the molecular formula C19H21F2N5O3S and a molecular weight of 437.47 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610758
Molecular FormulaC19H21F2N5O3S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC Name7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(N2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3F)c2n1
InChIInChI=1S/C19H21F2N5O3S/c1-10-23-14-15(18(24-10)26-7-8-29-19(2,3)9-26)25-17(22)16(14)30(27,28)12-6-4-5-11(20)13(12)21/h4-6,25H,7-9,22H2,1-3H3
InChIKeyMTKHOZHCFHWVNP-UHFFFAOYSA-N
XLogP2.57
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610758) is 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(N2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3F)c2n1.
What is the InChIKey of 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is MTKHOZHCFHWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3S/c1-10-23-14-15(18(24-10)26-7-8-29-19(2,3)9-26)25-17(22)16(14)30(27,28)12-6-4-5-11(20)13(12)21/h4-6,25H,7-9,22H2,1-3H3.
What are the key properties of 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 437.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)sulfonyl-4-(2,2-dimethylmorpholin-4-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).