N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine

C18H17FN4O2S — CID 169260380

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
SMILESC[C@@H](Nc1ncc(-c2cncc(S(C)(=O)=O)c2)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c1-12(13-3-5-16(19)6-4-13)23-18-21-9-15(10-22-18)14-7-17(11-20-8-14)26(2,24)25/h3-12H,1-2H3,(H,21,22,23)/t12-/m1/s1
InChIKeyHDGSHJJPGDKMFP-GFCCVEGCSA-N
MW372.43 g/mol
LogP3.25
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 169260380) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
PubChem CID169260380
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
SMILESC[C@@H](Nc1ncc(-c2cncc(S(C)(=O)=O)c2)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c1-12(13-3-5-16(19)6-4-13)23-18-21-9-15(10-22-18)14-7-17(11-20-8-14)26(2,24)25/h3-12H,1-2H3,(H,21,22,23)/t12-/m1/s1
InChIKeyHDGSHJJPGDKMFP-GFCCVEGCSA-N
XLogP3.25
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine (CID 169260380) is N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine is C[C@@H](Nc1ncc(-c2cncc(S(C)(=O)=O)c2)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is HDGSHJJPGDKMFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-12(13-3-5-16(19)6-4-13)23-18-21-9-15(10-22-18)14-7-17(11-20-8-14)26(2,24)25/h3-12H,1-2H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 169260380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).