7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C19H19F4N5O4S — CID 118610671

IUPAC7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(N4CCO[C@H](C(F)(F)F)C4)nc(C)nc23)c(F)c1
InChIInChI=1S/C19H19F4N5O4S/c1-9-25-14-15(18(26-9)28-5-6-32-13(8-28)19(21,22)23)27-17(24)16(14)33(29,30)12-4-3-10(31-2)7-11(12)20/h3-4,7,13,27H,5-6,8,24H2,1-2H3/t13-/m0/s1
InChIKeyHCVZDBSNADMNCS-ZDUSSCGKSA-N
MW489.45 g/mol
LogP2.60
Rot. Bonds4

About 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610671) has the molecular formula C19H19F4N5O4S and a molecular weight of 489.45 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610671
Molecular FormulaC19H19F4N5O4S
Molecular Weight489.45 g/mol
Exact Mass489.11
IUPAC Name7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(N4CCO[C@H](C(F)(F)F)C4)nc(C)nc23)c(F)c1
InChIInChI=1S/C19H19F4N5O4S/c1-9-25-14-15(18(26-9)28-5-6-32-13(8-28)19(21,22)23)27-17(24)16(14)33(29,30)12-4-3-10(31-2)7-11(12)20/h3-4,7,13,27H,5-6,8,24H2,1-2H3/t13-/m0/s1
InChIKeyHCVZDBSNADMNCS-ZDUSSCGKSA-N
XLogP2.60
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610671) is 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is COc1ccc(S(=O)(=O)c2c(N)[nH]c3c(N4CCO[C@H](C(F)(F)F)C4)nc(C)nc23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is HCVZDBSNADMNCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19F4N5O4S/c1-9-25-14-15(18(26-9)28-5-6-32-13(8-28)19(21,22)23)27-17(24)16(14)33(29,30)12-4-3-10(31-2)7-11(12)20/h3-4,7,13,27H,5-6,8,24H2,1-2H3/t13-/m0/s1.
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 489.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-4-[(2S)-2-(trifluoromethyl)morpholin-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).