6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

C21H22F3N5O2S — CID 168874823

IUPAC6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCCS3(=O)=O)cnc2n1
InChIInChI=1S/C21H22F3N5O2S/c1-12-16(6-4-7-18(12)21(22,23)24)13(2)26-20-17-10-15(29-8-5-9-32(29,30)31)11-25-19(17)27-14(3)28-20/h4,6-7,10-11,13H,5,8-9H2,1-3H3,(H,25,26,27,28)/t13-/m1/s1
InChIKeyRJIPZHVFRQQGOT-CYBMUJFWSA-N
MW465.50 g/mol
LogP4.37
Rot. Bonds4

About 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 168874823) has the molecular formula C21H22F3N5O2S and a molecular weight of 465.50 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID168874823
Molecular FormulaC21H22F3N5O2S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC Name6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCCS3(=O)=O)cnc2n1
InChIInChI=1S/C21H22F3N5O2S/c1-12-16(6-4-7-18(12)21(22,23)24)13(2)26-20-17-10-15(29-8-5-9-32(29,30)31)11-25-19(17)27-14(3)28-20/h4,6-7,10-11,13H,5,8-9H2,1-3H3,(H,25,26,27,28)/t13-/m1/s1
InChIKeyRJIPZHVFRQQGOT-CYBMUJFWSA-N
XLogP4.37
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 168874823) is 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCCS3(=O)=O)cnc2n1.
What is the InChIKey of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is RJIPZHVFRQQGOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22F3N5O2S/c1-12-16(6-4-7-18(12)21(22,23)24)13(2)26-20-17-10-15(29-8-5-9-32(29,30)31)11-25-19(17)27-14(3)28-20/h4,6-7,10-11,13H,5,8-9H2,1-3H3,(H,25,26,27,28)/t13-/m1/s1.
What are the key properties of 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 465.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168874823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).