(2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol

C15H21F3N4OS — CID 146669573

IUPAC(2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
SMILESC[C@H](O)C[C@H](CN)CN(C)c1ncnc2sc(CC(F)(F)F)cc12
InChIInChI=1S/C15H21F3N4OS/c1-9(23)3-10(6-19)7-22(2)13-12-4-11(5-15(16,17)18)24-14(12)21-8-20-13/h4,8-10,23H,3,5-7,19H2,1-2H3/t9-,10+/m0/s1
InChIKeyJRLMOEKHIPNGQI-VHSXEESVSA-N
MW362.42 g/mol
LogP2.58
Rot. Bonds7

About (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol

(2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 146669573) has the molecular formula C15H21F3N4OS and a molecular weight of 362.42 g/mol. Its IUPAC name is (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID146669573
Molecular FormulaC15H21F3N4OS
Molecular Weight362.42 g/mol
Exact Mass362.14
IUPAC Name(2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
SMILESC[C@H](O)C[C@H](CN)CN(C)c1ncnc2sc(CC(F)(F)F)cc12
InChIInChI=1S/C15H21F3N4OS/c1-9(23)3-10(6-19)7-22(2)13-12-4-11(5-15(16,17)18)24-14(12)21-8-20-13/h4,8-10,23H,3,5-7,19H2,1-2H3/t9-,10+/m0/s1
InChIKeyJRLMOEKHIPNGQI-VHSXEESVSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol (CID 146669573) is (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol is C[C@H](O)C[C@H](CN)CN(C)c1ncnc2sc(CC(F)(F)F)cc12.
What is the InChIKey of (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is JRLMOEKHIPNGQI-VHSXEESVSA-N. The full InChI is InChI=1S/C15H21F3N4OS/c1-9(23)3-10(6-19)7-22(2)13-12-4-11(5-15(16,17)18)24-14(12)21-8-20-13/h4,8-10,23H,3,5-7,19H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol?
(2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 362.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(aminomethyl)-5-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 146669573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).