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

C15H25N5O2 — CID 91922859

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C15H25N5O2/c1-19(2)8-12-9-20(14-4-6-16-11-17-14)10-13(12)18-15(21)5-7-22-3/h4,6,11-13H,5,7-10H2,1-3H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyKVFUGAHHECSFDY-CHWSQXEVSA-N
MW307.40 g/mol
LogP-0.00
Rot. Bonds7

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 91922859) 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]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID91922859
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C15H25N5O2/c1-19(2)8-12-9-20(14-4-6-16-11-17-14)10-13(12)18-15(21)5-7-22-3/h4,6,11-13H,5,7-10H2,1-3H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyKVFUGAHHECSFDY-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]-3-methoxypropanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide (CID 91922859) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=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]-3-methoxypropanamide?
The InChIKey is KVFUGAHHECSFDY-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-19(2)8-12-9-20(14-4-6-16-11-17-14)10-13(12)18-15(21)5-7-22-3/h4,6,11-13H,5,7-10H2,1-3H3,(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]-3-methoxypropanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide 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]-3-methoxypropanamide is sourced from PubChem (CID 91922859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).