(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol

C16H25N3O2 — CID 56875567

IUPAC(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1O
InChIInChI=1S/C16H25N3O2/c1-11(2)21-15-10-19(9-14(15)20)16-17-8-7-13(18-16)12-5-3-4-6-12/h7-8,11-12,14-15,20H,3-6,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyXUYKOMVDIUKCMC-GJZGRUSLSA-N
MW291.39 g/mol
LogP2.11
Rot. Bonds4

About (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol

(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 56875567) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID56875567
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1O
InChIInChI=1S/C16H25N3O2/c1-11(2)21-15-10-19(9-14(15)20)16-17-8-7-13(18-16)12-5-3-4-6-12/h7-8,11-12,14-15,20H,3-6,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyXUYKOMVDIUKCMC-GJZGRUSLSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol (CID 56875567) is (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol is CC(C)O[C@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is XUYKOMVDIUKCMC-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)21-15-10-19(9-14(15)20)16-17-8-7-13(18-16)12-5-3-4-6-12/h7-8,11-12,14-15,20H,3-6,9-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol?
(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 291.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 56875567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).