N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride

C15H26ClN5O2 — CID 154899182

IUPACN-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCCC[C@H]1CN(c2ccnc(N)n2)C[C@@H]1NC(=O)CCOC.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-3-4-11-9-20(13-5-7-17-15(16)19-13)10-12(11)18-14(21)6-8-22-2;/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,21)(H2,16,17,19);1H/t11-,12-;/m0./s1
InChIKeyZLTQGSLEIJGCEM-FXMYHANSSA-N
MW343.86 g/mol
LogP1.24
Rot. Bonds7

About N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride

N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 154899182) has the molecular formula C15H26ClN5O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
PubChem CID154899182
Molecular FormulaC15H26ClN5O2
Molecular Weight343.86 g/mol
Exact Mass343.18
IUPAC NameN-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCCC[C@H]1CN(c2ccnc(N)n2)C[C@@H]1NC(=O)CCOC.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-3-4-11-9-20(13-5-7-17-15(16)19-13)10-12(11)18-14(21)6-8-22-2;/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,21)(H2,16,17,19);1H/t11-,12-;/m0./s1
InChIKeyZLTQGSLEIJGCEM-FXMYHANSSA-N
XLogP1.24
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride (CID 154899182) is N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride is CCC[C@H]1CN(c2ccnc(N)n2)C[C@@H]1NC(=O)CCOC.Cl.
What is the InChIKey of N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is ZLTQGSLEIJGCEM-FXMYHANSSA-N. The full InChI is InChI=1S/C15H25N5O2.ClH/c1-3-4-11-9-20(13-5-7-17-15(16)19-13)10-12(11)18-14(21)6-8-22-2;/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,21)(H2,16,17,19);1H/t11-,12-;/m0./s1.
What are the key properties of N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 154899182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).