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

C11H17N5 — CID 58227302

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine
SMILESN[C@@H]1CCN(c2ccnc(NC3CC3)n2)C1
InChIInChI=1S/C11H17N5/c12-8-4-6-16(7-8)10-3-5-13-11(15-10)14-9-1-2-9/h3,5,8-9H,1-2,4,6-7,12H2,(H,13,14,15)/t8-/m1/s1
InChIKeyOACCOZPTVLOIMI-MRVPVSSYSA-N
MW219.29 g/mol
LogP0.59
Rot. Bonds3

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

4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine (PubChem CID 58227302) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine
PubChem CID58227302
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine
SMILESN[C@@H]1CCN(c2ccnc(NC3CC3)n2)C1
InChIInChI=1S/C11H17N5/c12-8-4-6-16(7-8)10-3-5-13-11(15-10)14-9-1-2-9/h3,5,8-9H,1-2,4,6-7,12H2,(H,13,14,15)/t8-/m1/s1
InChIKeyOACCOZPTVLOIMI-MRVPVSSYSA-N
XLogP0.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine (CID 58227302) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine is N[C@@H]1CCN(c2ccnc(NC3CC3)n2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine?
The InChIKey is OACCOZPTVLOIMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5/c12-8-4-6-16(7-8)10-3-5-13-11(15-10)14-9-1-2-9/h3,5,8-9H,1-2,4,6-7,12H2,(H,13,14,15)/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 58227302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).