[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C24H38N10O2 — CID 158471711

IUPAC[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nc(NC2CC2)cc(N2CC[C@@H](CO)C2)n1.Nc1nc(NC2CC2)cc(N2CC[C@H](CO)C2)n1
InChIInChI=1S/2C12H19N5O/c2*13-12-15-10(14-9-1-2-9)5-11(16-12)17-4-3-8(6-17)7-18/h2*5,8-9,18H,1-4,6-7H2,(H3,13,14,15,16)/t2*8-/m10/s1
InChIKeyHGKRFKDTAZJPQG-RMTNWKGQSA-N
MW498.64 g/mol
LogP0.90
Rot. Bonds8

About [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 158471711) has the molecular formula C24H38N10O2 and a molecular weight of 498.64 g/mol. Its IUPAC name is [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID158471711
Molecular FormulaC24H38N10O2
Molecular Weight498.64 g/mol
Exact Mass498.32
IUPAC Name[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nc(NC2CC2)cc(N2CC[C@@H](CO)C2)n1.Nc1nc(NC2CC2)cc(N2CC[C@H](CO)C2)n1
InChIInChI=1S/2C12H19N5O/c2*13-12-15-10(14-9-1-2-9)5-11(16-12)17-4-3-8(6-17)7-18/h2*5,8-9,18H,1-4,6-7H2,(H3,13,14,15,16)/t2*8-/m10/s1
InChIKeyHGKRFKDTAZJPQG-RMTNWKGQSA-N
XLogP0.90
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500498.64
LogP ≤ 50.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 158471711) is [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is Nc1nc(NC2CC2)cc(N2CC[C@@H](CO)C2)n1.Nc1nc(NC2CC2)cc(N2CC[C@H](CO)C2)n1.
What is the InChIKey of [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is HGKRFKDTAZJPQG-RMTNWKGQSA-N. The full InChI is InChI=1S/2C12H19N5O/c2*13-12-15-10(14-9-1-2-9)5-11(16-12)17-4-3-8(6-17)7-18/h2*5,8-9,18H,1-4,6-7H2,(H3,13,14,15,16)/t2*8-/m10/s1.
What are the key properties of [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 498.64 g/mol, XLogP of 0.90, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 158471711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).