6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C20H19F3N6OS — CID 154470666

IUPAC6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc([C@H]2C[C@]23C[C@H]3Oc2cc(NCc3nnc(C)s3)nc(C(F)(F)F)n2)nc1
InChIInChI=1S/C20H19F3N6OS/c1-10-3-4-13(24-8-10)12-6-19(12)7-14(19)30-16-5-15(26-18(27-16)20(21,22)23)25-9-17-29-28-11(2)31-17/h3-5,8,12,14H,6-7,9H2,1-2H3,(H,25,26,27)/t12-,14-,19+/m1/s1
InChIKeyIEZNOGHLOPWHHA-TVZGQMOCSA-N
MW448.47 g/mol
LogP4.30
Rot. Bonds6

About 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 154470666) has the molecular formula C20H19F3N6OS and a molecular weight of 448.47 g/mol. Its IUPAC name is 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID154470666
Molecular FormulaC20H19F3N6OS
Molecular Weight448.47 g/mol
Exact Mass448.13
IUPAC Name6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc([C@H]2C[C@]23C[C@H]3Oc2cc(NCc3nnc(C)s3)nc(C(F)(F)F)n2)nc1
InChIInChI=1S/C20H19F3N6OS/c1-10-3-4-13(24-8-10)12-6-19(12)7-14(19)30-16-5-15(26-18(27-16)20(21,22)23)25-9-17-29-28-11(2)31-17/h3-5,8,12,14H,6-7,9H2,1-2H3,(H,25,26,27)/t12-,14-,19+/m1/s1
InChIKeyIEZNOGHLOPWHHA-TVZGQMOCSA-N
XLogP4.30
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 154470666) is 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc([C@H]2C[C@]23C[C@H]3Oc2cc(NCc3nnc(C)s3)nc(C(F)(F)F)n2)nc1.
What is the InChIKey of 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IEZNOGHLOPWHHA-TVZGQMOCSA-N. The full InChI is InChI=1S/C20H19F3N6OS/c1-10-3-4-13(24-8-10)12-6-19(12)7-14(19)30-16-5-15(26-18(27-16)20(21,22)23)25-9-17-29-28-11(2)31-17/h3-5,8,12,14H,6-7,9H2,1-2H3,(H,25,26,27)/t12-,14-,19+/m1/s1.
What are the key properties of 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 448.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3S,5S)-5-(5-methyl-2-pyridinyl)spiro[2.2]pentan-2-yl]oxy-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 154470666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).