2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine

C16H19N3O — CID 124792317

IUPAC2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
SMILESCO[C@@H]1CCN(c2ncccn2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-20-15-8-11-19(16-17-9-5-10-18-16)14(15)12-13-6-3-2-4-7-13/h2-7,9-10,14-15H,8,11-12H2,1H3/t14-,15-/m1/s1
InChIKeySELOKMWGJNHJTF-HUUCEWRRSA-N
MW269.35 g/mol
LogP2.31
Rot. Bonds4

About 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine

2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine (PubChem CID 124792317) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
PubChem CID124792317
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
SMILESCO[C@@H]1CCN(c2ncccn2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-20-15-8-11-19(16-17-9-5-10-18-16)14(15)12-13-6-3-2-4-7-13/h2-7,9-10,14-15H,8,11-12H2,1H3/t14-,15-/m1/s1
InChIKeySELOKMWGJNHJTF-HUUCEWRRSA-N
XLogP2.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine (CID 124792317) is 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine is CO[C@@H]1CCN(c2ncccn2)[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine?
The InChIKey is SELOKMWGJNHJTF-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-15-8-11-19(16-17-9-5-10-18-16)14(15)12-13-6-3-2-4-7-13/h2-7,9-10,14-15H,8,11-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine?
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 124792317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).