2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine

C12H19N3O — CID 154661534

IUPAC2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
SMILESCNc1cc(C)nc(N2CC[C@H](OC)C2)c1
InChIInChI=1S/C12H19N3O/c1-9-6-10(13-2)7-12(14-9)15-5-4-11(8-15)16-3/h6-7,11H,4-5,8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyCMBVBYGHUZNLBH-NSHDSACASA-N
MW221.30 g/mol
LogP1.66
Rot. Bonds3

About 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine

2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine (PubChem CID 154661534) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
PubChem CID154661534
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
SMILESCNc1cc(C)nc(N2CC[C@H](OC)C2)c1
InChIInChI=1S/C12H19N3O/c1-9-6-10(13-2)7-12(14-9)15-5-4-11(8-15)16-3/h6-7,11H,4-5,8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyCMBVBYGHUZNLBH-NSHDSACASA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine?
The IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine (CID 154661534) is 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine is CNc1cc(C)nc(N2CC[C@H](OC)C2)c1.
What is the InChIKey of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine?
The InChIKey is CMBVBYGHUZNLBH-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-10(13-2)7-12(14-9)15-5-4-11(8-15)16-3/h6-7,11H,4-5,8H2,1-3H3,(H,13,14)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine?
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine is sourced from PubChem (CID 154661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).