7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine

C19H23FN6O3S — CID 118615204

IUPAC7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine
SMILESCC1CN(c2nc(N(C)C)nc3c(S(=O)(=O)c4ccccc4F)c(N)[nH]c23)CCO1
InChIInChI=1S/C19H23FN6O3S/c1-11-10-26(8-9-29-11)18-15-14(23-19(24-18)25(2)3)16(17(21)22-15)30(27,28)13-7-5-4-6-12(13)20/h4-7,11,22H,8-10,21H2,1-3H3
InChIKeyWELALUPYWGSYLR-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.80
Rot. Bonds4

About 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine

7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine (PubChem CID 118615204) has the molecular formula C19H23FN6O3S and a molecular weight of 434.50 g/mol. Its IUPAC name is 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine
PubChem CID118615204
Molecular FormulaC19H23FN6O3S
Molecular Weight434.50 g/mol
Exact Mass434.15
IUPAC Name7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine
SMILESCC1CN(c2nc(N(C)C)nc3c(S(=O)(=O)c4ccccc4F)c(N)[nH]c23)CCO1
InChIInChI=1S/C19H23FN6O3S/c1-11-10-26(8-9-29-11)18-15-14(23-19(24-18)25(2)3)16(17(21)22-15)30(27,28)13-7-5-4-6-12(13)20/h4-7,11,22H,8-10,21H2,1-3H3
InChIKeyWELALUPYWGSYLR-UHFFFAOYSA-N
XLogP1.80
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine?
The IUPAC name of 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine (CID 118615204) is 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine?
The canonical SMILES for 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine is CC1CN(c2nc(N(C)C)nc3c(S(=O)(=O)c4ccccc4F)c(N)[nH]c23)CCO1.
What is the InChIKey of 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine?
The InChIKey is WELALUPYWGSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O3S/c1-11-10-26(8-9-29-11)18-15-14(23-19(24-18)25(2)3)16(17(21)22-15)30(27,28)13-7-5-4-6-12(13)20/h4-7,11,22H,8-10,21H2,1-3H3.
What are the key properties of 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine?
7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine has a molecular weight of 434.50 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)sulfonyl-2-N,2-N-dimethyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 118615204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).