(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol

C13H20N4O2 — CID 133344810

IUPAC(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1cnc(N2CC[C@H](O)C2)nc1N1CC[C@H](O)C1
InChIInChI=1S/C13H20N4O2/c1-9-6-14-13(17-5-3-11(19)8-17)15-12(9)16-4-2-10(18)7-16/h6,10-11,18-19H,2-5,7-8H2,1H3/t10-,11-/m0/s1
InChIKeyJDSCCGNUXQZDMY-QWRGUYRKSA-N
MW264.33 g/mol
LogP-0.07
Rot. Bonds2

About (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol

(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 133344810) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID133344810
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1cnc(N2CC[C@H](O)C2)nc1N1CC[C@H](O)C1
InChIInChI=1S/C13H20N4O2/c1-9-6-14-13(17-5-3-11(19)8-17)15-12(9)16-4-2-10(18)7-16/h6,10-11,18-19H,2-5,7-8H2,1H3/t10-,11-/m0/s1
InChIKeyJDSCCGNUXQZDMY-QWRGUYRKSA-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 (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol (CID 133344810) is (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol is Cc1cnc(N2CC[C@H](O)C2)nc1N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is JDSCCGNUXQZDMY-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-14-13(17-5-3-11(19)8-17)15-12(9)16-4-2-10(18)7-16/h6,10-11,18-19H,2-5,7-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol?
(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-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 (3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 133344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).