(3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine

C16H28N4O — CID 72861496

IUPAC(3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(Cc2cnc(COC)nc2)C[C@@H]1N(C)C
InChIInChI=1S/C16H28N4O/c1-5-6-14-10-20(11-15(14)19(2)3)9-13-7-17-16(12-21-4)18-8-13/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyFDLTVANBXJPCOU-GJZGRUSLSA-N
MW292.43 g/mol
LogP1.79
Rot. Bonds7

About (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine

(3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine (PubChem CID 72861496) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
PubChem CID72861496
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(Cc2cnc(COC)nc2)C[C@@H]1N(C)C
InChIInChI=1S/C16H28N4O/c1-5-6-14-10-20(11-15(14)19(2)3)9-13-7-17-16(12-21-4)18-8-13/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyFDLTVANBXJPCOU-GJZGRUSLSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine (CID 72861496) is (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine is CCC[C@H]1CN(Cc2cnc(COC)nc2)C[C@@H]1N(C)C.
What is the InChIKey of (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The InChIKey is FDLTVANBXJPCOU-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-6-14-10-20(11-15(14)19(2)3)9-13-7-17-16(12-21-4)18-8-13/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
(3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 72861496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).