N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide

C16H18F3N5O2S2 — CID 130474289

IUPACN-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide
SMILESCOc1nc(C(C)C)c(Sc2cnc(NC(C)=O)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C16H18F3N5O2S2/c1-7(2)12-9(5-10(14(23-12)26-4)28-16(17,18)19)27-11-6-21-15(22-8(3)25)24-13(11)20/h5-7H,1-4H3,(H3,20,21,22,24,25)
InChIKeyGQJDXISQCRBUHC-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.31
Rot. Bonds6

About N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide

N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide (PubChem CID 130474289) has the molecular formula C16H18F3N5O2S2 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide
PubChem CID130474289
Molecular FormulaC16H18F3N5O2S2
Molecular Weight433.48 g/mol
Exact Mass433.09
IUPAC NameN-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide
SMILESCOc1nc(C(C)C)c(Sc2cnc(NC(C)=O)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C16H18F3N5O2S2/c1-7(2)12-9(5-10(14(23-12)26-4)28-16(17,18)19)27-11-6-21-15(22-8(3)25)24-13(11)20/h5-7H,1-4H3,(H3,20,21,22,24,25)
InChIKeyGQJDXISQCRBUHC-UHFFFAOYSA-N
XLogP4.31
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide (CID 130474289) is N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide is COc1nc(C(C)C)c(Sc2cnc(NC(C)=O)nc2N)cc1SC(F)(F)F.
What is the InChIKey of N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide?
The InChIKey is GQJDXISQCRBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2S2/c1-7(2)12-9(5-10(14(23-12)26-4)28-16(17,18)19)27-11-6-21-15(22-8(3)25)24-13(11)20/h5-7H,1-4H3,(H3,20,21,22,24,25).
What are the key properties of N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide?
N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide has a molecular weight of 433.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 130474289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).