6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine

C15H20F2N6O — CID 128991350

IUPAC6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c1F
InChIInChI=1S/C15H20F2N6O/c1-3-12-14(17)15(20-8-19-12)18-5-11-4-10(16)6-23(11)7-13-21-9(2)24-22-13/h8,10-11H,3-7H2,1-2H3,(H,18,19,20)/t10-,11-/m0/s1
InChIKeyPTNKNHSWEISYJQ-QWRGUYRKSA-N
MW338.36 g/mol
LogP1.89
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 128991350) has the molecular formula C15H20F2N6O and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID128991350
Molecular FormulaC15H20F2N6O
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC Name6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c1F
InChIInChI=1S/C15H20F2N6O/c1-3-12-14(17)15(20-8-19-12)18-5-11-4-10(16)6-23(11)7-13-21-9(2)24-22-13/h8,10-11H,3-7H2,1-2H3,(H,18,19,20)/t10-,11-/m0/s1
InChIKeyPTNKNHSWEISYJQ-QWRGUYRKSA-N
XLogP1.89
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-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

N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 71933051
3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 95767777
5-[1-(6-Ethyl-5-fluoropyrimidin-4-YL)pyrrolidin-2-YL]-1,2,4-oxadiazole-3-carboxamide
CID 86817442
5-[(2R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99856717
5-[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99856718
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide
CID 103270043
5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703209
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103867461
3-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103867465
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]acetamide
CID 103879744
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 103879777
6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103880030

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 128991350) is 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine is CCc1ncnc(NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is PTNKNHSWEISYJQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20F2N6O/c1-3-12-14(17)15(20-8-19-12)18-5-11-4-10(16)6-23(11)7-13-21-9(2)24-22-13/h8,10-11H,3-7H2,1-2H3,(H,18,19,20)/t10-,11-/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 338.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 128991350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).