5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine

C18H17FN4O2S — CID 90312419

IUPAC5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-11(2)26(24,25)17-15(4-3-7-21-17)12-5-6-14(16(19)8-12)13-9-22-18(20)23-10-13/h3-11H,1-2H3,(H2,20,22,23)
InChIKeyTVSNPHDXJDZZJY-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.11
Rot. Bonds4

About 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine

5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine (PubChem CID 90312419) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine
PubChem CID90312419
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-11(2)26(24,25)17-15(4-3-7-21-17)12-5-6-14(16(19)8-12)13-9-22-18(20)23-10-13/h3-11H,1-2H3,(H2,20,22,23)
InChIKeyTVSNPHDXJDZZJY-UHFFFAOYSA-N
XLogP3.11
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine (CID 90312419) is 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine is CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
The InChIKey is TVSNPHDXJDZZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11(2)26(24,25)17-15(4-3-7-21-17)12-5-6-14(16(19)8-12)13-9-22-18(20)23-10-13/h3-11H,1-2H3,(H2,20,22,23).
What are the key properties of 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-propan-2-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90312419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).