4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine

C15H23N5 — CID 58227090

IUPAC4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine
SMILESN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1
InChIInChI=1S/C15H23N5/c16-12-4-6-20(9-12)14-3-5-17-15(19-14)18-13-8-10-1-2-11(13)7-10/h3,5,10-13H,1-2,4,6-9,16H2,(H,17,18,19)/t10?,11?,12-,13?/m0/s1
InChIKeyFGJKRFYZAVCCNL-ARAJFMJPSA-N
MW273.38 g/mol
LogP1.61
Rot. Bonds3

About 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine

4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine (PubChem CID 58227090) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine
PubChem CID58227090
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine
SMILESN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1
InChIInChI=1S/C15H23N5/c16-12-4-6-20(9-12)14-3-5-17-15(19-14)18-13-8-10-1-2-11(13)7-10/h3,5,10-13H,1-2,4,6-9,16H2,(H,17,18,19)/t10?,11?,12-,13?/m0/s1
InChIKeyFGJKRFYZAVCCNL-ARAJFMJPSA-N
XLogP1.61
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine (CID 58227090) is 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine is N[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
The InChIKey is FGJKRFYZAVCCNL-ARAJFMJPSA-N. The full InChI is InChI=1S/C15H23N5/c16-12-4-6-20(9-12)14-3-5-17-15(19-14)18-13-8-10-1-2-11(13)7-10/h3,5,10-13H,1-2,4,6-9,16H2,(H,17,18,19)/t10?,11?,12-,13?/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine?
4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-bicyclo[2.2.1]heptanyl)pyrimidin-2-amine is sourced from PubChem (CID 58227090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).