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

C15H22FN7 — CID 128971375

IUPAC1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1
InChIInChI=1S/C15H22FN7/c1-21(10-15-6-19-20-22(15)2)9-14-3-13(16)8-23(14)7-12-4-17-11-18-5-12/h4-6,11,13-14H,3,7-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyAUBSBBGAGMPVFW-KBPBESRZSA-N
MW319.39 g/mol
LogP0.65
Rot. Bonds6

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

1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine (PubChem CID 128971375) has the molecular formula C15H22FN7 and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
PubChem CID128971375
Molecular FormulaC15H22FN7
Molecular Weight319.39 g/mol
Exact Mass319.19
IUPAC Name1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1
InChIInChI=1S/C15H22FN7/c1-21(10-15-6-19-20-22(15)2)9-14-3-13(16)8-23(14)7-12-4-17-11-18-5-12/h4-6,11,13-14H,3,7-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyAUBSBBGAGMPVFW-KBPBESRZSA-N
XLogP0.65
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine (CID 128971375) is 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine is CN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is AUBSBBGAGMPVFW-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22FN7/c1-21(10-15-6-19-20-22(15)2)9-14-3-13(16)8-23(14)7-12-4-17-11-18-5-12/h4-6,11,13-14H,3,7-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine?
1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 319.39 g/mol, XLogP of 0.65, 6 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-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 128971375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).