N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide

C15H25N5O2 — CID 91922860

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C15H25N5O2/c1-4-22-10-15(21)18-13-9-20(8-12(13)7-19(2)3)14-5-6-16-11-17-14/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyAMMGSXDAADMINH-CHWSQXEVSA-N
MW307.40 g/mol
LogP-0.00
Rot. Bonds7

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide (PubChem CID 91922860) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide
PubChem CID91922860
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C15H25N5O2/c1-4-22-10-15(21)18-13-9-20(8-12(13)7-19(2)3)14-5-6-16-11-17-14/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyAMMGSXDAADMINH-CHWSQXEVSA-N
XLogP-0.00
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide (CID 91922860) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide is CCOCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
The InChIKey is AMMGSXDAADMINH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-4-22-10-15(21)18-13-9-20(8-12(13)7-19(2)3)14-5-6-16-11-17-14/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide has a molecular weight of 307.40 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 91922860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).