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

C17H17FN4O3S — CID 129187081

IUPAC4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC2CCC2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-10-5-4-6-10)22-16(19)15(13)26(23,24)12-8-3-2-7-11(12)18/h2-3,7-8,10,22H,4-6,19H2,1H3
InChIKeyBOBYDRLWXIQMOT-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.75
Rot. Bonds4

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

4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 129187081) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID129187081
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC2CCC2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1
InChIInChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-10-5-4-6-10)22-16(19)15(13)26(23,24)12-8-3-2-7-11(12)18/h2-3,7-8,10,22H,4-6,19H2,1H3
InChIKeyBOBYDRLWXIQMOT-UHFFFAOYSA-N
XLogP2.75
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

US10059713, Example 282
CID 118610671
6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
CID 134455336
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxyethoxy)pyridine-2-carbonitrile
CID 134455338
6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-ethoxypyridine-2-carbonitrile
CID 134455502
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
CID 134455545
6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-ethoxypyridine-2-carbonitrile
CID 134455548
3-ethoxy-6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455549
US10059713, Example 296
CID 118610526
US10059713, Example 293
CID 118610532
US10059713, Example 211
CID 118610608
US10059713, Example 272
CID 118610707
US10059713, Example 273
CID 118610737

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 129187081) is 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(OC2CCC2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1.
What is the InChIKey of 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is BOBYDRLWXIQMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-10-5-4-6-10)22-16(19)15(13)26(23,24)12-8-3-2-7-11(12)18/h2-3,7-8,10,22H,4-6,19H2,1H3.
What are the key properties of 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 376.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-7-(2-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 129187081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).