6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C13H22N6 — CID 54584826

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)n2)C1
InChIInChI=1S/C13H22N6/c1-15-10-4-7-19(9-10)12-8-11(14)16-13(17-12)18-5-2-3-6-18/h8,10,15H,2-7,9H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyQKBCZNNMNSXGPE-SNVBAGLBSA-N
MW262.36 g/mol
LogP0.46
Rot. Bonds3

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 54584826) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID54584826
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)n2)C1
InChIInChI=1S/C13H22N6/c1-15-10-4-7-19(9-10)12-8-11(14)16-13(17-12)18-5-2-3-6-18/h8,10,15H,2-7,9H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyQKBCZNNMNSXGPE-SNVBAGLBSA-N
XLogP0.46
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 54584826) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine is CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is QKBCZNNMNSXGPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N6/c1-15-10-4-7-19(9-10)12-8-11(14)16-13(17-12)18-5-2-3-6-18/h8,10,15H,2-7,9H2,1H3,(H2,14,16,17)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 54584826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).