N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide

C16H24FN5O — CID 129007886

IUPACN-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1
InChIInChI=1S/C16H24FN5O/c1-21(11-16(23)20-13-3-4-13)9-14-7-12(17)8-22(14)10-15-18-5-2-6-19-15/h2,5-6,12-14H,3-4,7-11H2,1H3,(H,20,23)/t12-,14-/m0/s1
InChIKeyWJMCIPLMZUXJRZ-JSGCOSHPSA-N
MW321.40 g/mol
LogP0.60
Rot. Bonds7

About N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide

N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide (PubChem CID 129007886) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide
PubChem CID129007886
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC NameN-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1
InChIInChI=1S/C16H24FN5O/c1-21(11-16(23)20-13-3-4-13)9-14-7-12(17)8-22(14)10-15-18-5-2-6-19-15/h2,5-6,12-14H,3-4,7-11H2,1H3,(H,20,23)/t12-,14-/m0/s1
InChIKeyWJMCIPLMZUXJRZ-JSGCOSHPSA-N
XLogP0.60
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide (CID 129007886) is N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide is CN(CC(=O)NC1CC1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1.
What is the InChIKey of N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide?
The InChIKey is WJMCIPLMZUXJRZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24FN5O/c1-21(11-16(23)20-13-3-4-13)9-14-7-12(17)8-22(14)10-15-18-5-2-6-19-15/h2,5-6,12-14H,3-4,7-11H2,1H3,(H,20,23)/t12-,14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide?
N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide has a molecular weight of 321.40 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 129007886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).