2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol

C13H21N3O2 — CID 131916729

IUPAC2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCCOc1ccnc(N2CCC(C(C)(C)O)C2)n1
InChIInChI=1S/C13H21N3O2/c1-4-18-11-5-7-14-12(15-11)16-8-6-10(9-16)13(2,3)17/h5,7,10,17H,4,6,8-9H2,1-3H3
InChIKeyNEOXJVVURDIIBH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

About 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol

2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol (PubChem CID 131916729) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
PubChem CID131916729
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCCOc1ccnc(N2CCC(C(C)(C)O)C2)n1
InChIInChI=1S/C13H21N3O2/c1-4-18-11-5-7-14-12(15-11)16-8-6-10(9-16)13(2,3)17/h5,7,10,17H,4,6,8-9H2,1-3H3
InChIKeyNEOXJVVURDIIBH-UHFFFAOYSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol (CID 131916729) is 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol is CCOc1ccnc(N2CCC(C(C)(C)O)C2)n1.
What is the InChIKey of 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol?
The InChIKey is NEOXJVVURDIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-11-5-7-14-12(15-11)16-8-6-10(9-16)13(2,3)17/h5,7,10,17H,4,6,8-9H2,1-3H3.
What are the key properties of 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol?
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 131916729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).