N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H14F3N5O2 — CID 129004563

IUPACN-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1noc([C@@H]2CC[C@H](CNc3nccc(C(F)(F)F)n3)O2)n1
InChIInChI=1S/C13H14F3N5O2/c1-7-19-11(23-21-7)9-3-2-8(22-9)6-18-12-17-5-4-10(20-12)13(14,15)16/h4-5,8-9H,2-3,6H2,1H3,(H,17,18,20)/t8-,9+/m1/s1
InChIKeyRBCRLHGNXKDSHA-BDAKNGLRSA-N
MW329.28 g/mol
LogP2.52
Rot. Bonds4

About N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 129004563) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID129004563
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC NameN-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1noc([C@@H]2CC[C@H](CNc3nccc(C(F)(F)F)n3)O2)n1
InChIInChI=1S/C13H14F3N5O2/c1-7-19-11(23-21-7)9-3-2-8(22-9)6-18-12-17-5-4-10(20-12)13(14,15)16/h4-5,8-9H,2-3,6H2,1H3,(H,17,18,20)/t8-,9+/m1/s1
InChIKeyRBCRLHGNXKDSHA-BDAKNGLRSA-N
XLogP2.52
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129004564
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 122156200
8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
CID 128968332
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95305722
(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide
CID 129327937
6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine
CID 128973858
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
(3S)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thiolan-3-amine
CID 129330675
6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 129004575
N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128965852

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 129004563) is N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1noc([C@@H]2CC[C@H](CNc3nccc(C(F)(F)F)n3)O2)n1.
What is the InChIKey of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RBCRLHGNXKDSHA-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-7-19-11(23-21-7)9-3-2-8(22-9)6-18-12-17-5-4-10(20-12)13(14,15)16/h4-5,8-9H,2-3,6H2,1H3,(H,17,18,20)/t8-,9+/m1/s1.
What are the key properties of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 329.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 129004563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).