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

C12H19N3O2 — CID 71905738

IUPAC2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ccnc(N2CCCC2C(C)(C)O)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,16)9-5-4-8-15(9)11-13-7-6-10(14-11)17-3/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyOPVQGLXXXSNPIU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds3

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

2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 71905738) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID71905738
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ccnc(N2CCCC2C(C)(C)O)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,16)9-5-4-8-15(9)11-13-7-6-10(14-11)17-3/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyOPVQGLXXXSNPIU-UHFFFAOYSA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol (CID 71905738) is 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol is COc1ccnc(N2CCCC2C(C)(C)O)n1.
What is the InChIKey of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is OPVQGLXXXSNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,16)9-5-4-8-15(9)11-13-7-6-10(14-11)17-3/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 71905738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).