(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol

C20H34N4O2 — CID 133135926

IUPAC(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCCCc1nc(C)cc(N2CCC(N3C[C@@H](O)[C@H](OC(C)C)C3)CC2)n1
InChIInChI=1S/C20H34N4O2/c1-5-6-19-21-15(4)11-20(22-19)23-9-7-16(8-10-23)24-12-17(25)18(13-24)26-14(2)3/h11,14,16-18,25H,5-10,12-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyXQYBGBXKPHURNO-QZTJIDSGSA-N
MW362.52 g/mol
LogP2.18
Rot. Bonds6

About (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol

(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 133135926) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID133135926
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCCCc1nc(C)cc(N2CCC(N3C[C@@H](O)[C@H](OC(C)C)C3)CC2)n1
InChIInChI=1S/C20H34N4O2/c1-5-6-19-21-15(4)11-20(22-19)23-9-7-16(8-10-23)24-12-17(25)18(13-24)26-14(2)3/h11,14,16-18,25H,5-10,12-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyXQYBGBXKPHURNO-QZTJIDSGSA-N
XLogP2.18
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol (CID 133135926) is (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol is CCCc1nc(C)cc(N2CCC(N3C[C@@H](O)[C@H](OC(C)C)C3)CC2)n1.
What is the InChIKey of (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is XQYBGBXKPHURNO-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-6-19-21-15(4)11-20(22-19)23-9-7-16(8-10-23)24-12-17(25)18(13-24)26-14(2)3/h11,14,16-18,25H,5-10,12-13H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 362.52 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 133135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).