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

C13H22N6 — CID 54583875

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1
InChIInChI=1S/C13H22N6/c1-15-10-4-7-19(9-10)12-8-11(16-13(14)17-12)18-5-2-3-6-18/h8,10,15H,2-7,9H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyLHEZCRHIKJOQOE-SNVBAGLBSA-N
MW262.36 g/mol
LogP0.46
Rot. Bonds3

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

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 54583875) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID54583875
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1
InChIInChI=1S/C13H22N6/c1-15-10-4-7-19(9-10)12-8-11(16-13(14)17-12)18-5-2-3-6-18/h8,10,15H,2-7,9H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyLHEZCRHIKJOQOE-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 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 54583875) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine is CN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is LHEZCRHIKJOQOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N6/c1-15-10-4-7-19(9-10)12-8-11(16-13(14)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 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-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 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 54583875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).