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

C20H23FN4O4S — CID 118610737

IUPAC4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C20H23FN4O4S/c1-11-23-15-16(19(24-11)29-12-8-9-28-20(2,3)10-12)25-18(22)17(15)30(26,27)14-7-5-4-6-13(14)21/h4-7,12,25H,8-10,22H2,1-3H3
InChIKeyLRYKABOCLKXRLS-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.16
Rot. Bonds4

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

4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610737) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610737
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C20H23FN4O4S/c1-11-23-15-16(19(24-11)29-12-8-9-28-20(2,3)10-12)25-18(22)17(15)30(26,27)14-7-5-4-6-13(14)21/h4-7,12,25H,8-10,22H2,1-3H3
InChIKeyLRYKABOCLKXRLS-UHFFFAOYSA-N
XLogP3.16
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610737) is 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(OC2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1.
What is the InChIKey of 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is LRYKABOCLKXRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-11-23-15-16(19(24-11)29-12-8-9-28-20(2,3)10-12)25-18(22)17(15)30(26,27)14-7-5-4-6-13(14)21/h4-7,12,25H,8-10,22H2,1-3H3.
What are the key properties of 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 434.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyloxan-4-yl)oxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).