(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol

C13H20N4O2 — CID 167833801

IUPAC(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CC[C@@H](O)C2)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-14-12(16-4-2-10(18)7-16)6-13(15-9)17-5-3-11(19)8-17/h6,10-11,18-19H,2-5,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyASHBQTUFKNJUJE-GHMZBOCLSA-N
MW264.33 g/mol
LogP-0.07
Rot. Bonds2

About (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol

(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 167833801) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID167833801
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CC[C@@H](O)C2)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-14-12(16-4-2-10(18)7-16)6-13(15-9)17-5-3-11(19)8-17/h6,10-11,18-19H,2-5,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyASHBQTUFKNJUJE-GHMZBOCLSA-N
XLogP-0.07
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol (CID 167833801) is (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol is Cc1nc(N2CC[C@@H](O)C2)cc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ASHBQTUFKNJUJE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-14-12(16-4-2-10(18)7-16)6-13(15-9)17-5-3-11(19)8-17/h6,10-11,18-19H,2-5,7-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 264.33 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 167833801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).