(3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol

C13H20N4O — CID 72842087

IUPAC(3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nc(N)nc3c2CCC3)C[C@]1(C)O
InChIInChI=1S/C13H20N4O/c1-8-6-17(7-13(8,2)18)11-9-4-3-5-10(9)15-12(14)16-11/h8,18H,3-7H2,1-2H3,(H2,14,15,16)/t8-,13+/m1/s1
InChIKeyWESUOHMERBOBEF-OQPBUACISA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds1

About (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol

(3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72842087) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72842087
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nc(N)nc3c2CCC3)C[C@]1(C)O
InChIInChI=1S/C13H20N4O/c1-8-6-17(7-13(8,2)18)11-9-4-3-5-10(9)15-12(14)16-11/h8,18H,3-7H2,1-2H3,(H2,14,15,16)/t8-,13+/m1/s1
InChIKeyWESUOHMERBOBEF-OQPBUACISA-N
XLogP0.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol (CID 72842087) is (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol is C[C@@H]1CN(c2nc(N)nc3c2CCC3)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is WESUOHMERBOBEF-OQPBUACISA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-6-17(7-13(8,2)18)11-9-4-3-5-10(9)15-12(14)16-11/h8,18H,3-7H2,1-2H3,(H2,14,15,16)/t8-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 248.33 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72842087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).