4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine

C13H21N5O — CID 58227346

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESN[C@@H]1CCN(c2ccnc(NC3CCOCC3)n2)C1
InChIInChI=1S/C13H21N5O/c14-10-2-6-18(9-10)12-1-5-15-13(17-12)16-11-3-7-19-8-4-11/h1,5,10-11H,2-4,6-9,14H2,(H,15,16,17)/t10-/m1/s1
InChIKeyFFQSJNCCHVEUDV-SNVBAGLBSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 58227346) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID58227346
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESN[C@@H]1CCN(c2ccnc(NC3CCOCC3)n2)C1
InChIInChI=1S/C13H21N5O/c14-10-2-6-18(9-10)12-1-5-15-13(17-12)16-11-3-7-19-8-4-11/h1,5,10-11H,2-4,6-9,14H2,(H,15,16,17)/t10-/m1/s1
InChIKeyFFQSJNCCHVEUDV-SNVBAGLBSA-N
XLogP0.60
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine (CID 58227346) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine is N[C@@H]1CCN(c2ccnc(NC3CCOCC3)n2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is FFQSJNCCHVEUDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O/c14-10-2-6-18(9-10)12-1-5-15-13(17-12)16-11-3-7-19-8-4-11/h1,5,10-11H,2-4,6-9,14H2,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 58227346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).