1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine

C14H19FN6O — CID 128991306

IUPAC1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2cncnc2)o1
InChIInChI=1S/C14H19FN6O/c1-10-18-19-14(22-10)21-7-12(15)3-13(21)8-20(2)6-11-4-16-9-17-5-11/h4-5,9,12-13H,3,6-8H2,1-2H3/t12-,13-/m0/s1
InChIKeyCLPIXIOHNUKTCK-STQMWFEESA-N
MW306.34 g/mol
LogP1.22
Rot. Bonds5

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

1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 128991306) has the molecular formula C14H19FN6O and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID128991306
Molecular FormulaC14H19FN6O
Molecular Weight306.34 g/mol
Exact Mass306.16
IUPAC Name1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2cncnc2)o1
InChIInChI=1S/C14H19FN6O/c1-10-18-19-14(22-10)21-7-12(15)3-13(21)8-20(2)6-11-4-16-9-17-5-11/h4-5,9,12-13H,3,6-8H2,1-2H3/t12-,13-/m0/s1
InChIKeyCLPIXIOHNUKTCK-STQMWFEESA-N
XLogP1.22
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine (CID 128991306) is 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine is Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2cncnc2)o1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is CLPIXIOHNUKTCK-STQMWFEESA-N. The full InChI is InChI=1S/C14H19FN6O/c1-10-18-19-14(22-10)21-7-12(15)3-13(21)8-20(2)6-11-4-16-9-17-5-11/h4-5,9,12-13H,3,6-8H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine?
1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 306.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 128991306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).