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

C16H17FN4O3S — CID 118610707

IUPAC7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC(C)C)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C16H17FN4O3S/c1-8(2)24-16-13-12(19-9(3)20-16)14(15(18)21-13)25(22,23)11-7-5-4-6-10(11)17/h4-8,21H,18H2,1-3H3
InChIKeyZXVRJMPGGMIFMG-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.61
Rot. Bonds4

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

7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610707) has the molecular formula C16H17FN4O3S and a molecular weight of 364.40 g/mol. Its IUPAC name is 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610707
Molecular FormulaC16H17FN4O3S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC(C)C)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C16H17FN4O3S/c1-8(2)24-16-13-12(19-9(3)20-16)14(15(18)21-13)25(22,23)11-7-5-4-6-10(11)17/h4-8,21H,18H2,1-3H3
InChIKeyZXVRJMPGGMIFMG-UHFFFAOYSA-N
XLogP2.61
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610707) is 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(OC(C)C)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1.
What is the InChIKey of 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is ZXVRJMPGGMIFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3S/c1-8(2)24-16-13-12(19-9(3)20-16)14(15(18)21-13)25(22,23)11-7-5-4-6-10(11)17/h4-8,21H,18H2,1-3H3.
What are the key properties of 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 364.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)sulfonyl-2-methyl-4-propan-2-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).