2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol

C11H16ClN3O — CID 87522921

IUPAC2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
SMILESCC(C)(O)c1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-11(2,16)8-7-9(14-10(12)13-8)15-5-3-4-6-15/h7,16H,3-6H2,1-2H3
InChIKeyRZFWPUHUONBLQR-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.96
Rot. Bonds2

About 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol

2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol (PubChem CID 87522921) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
PubChem CID87522921
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
SMILESCC(C)(O)c1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-11(2,16)8-7-9(14-10(12)13-8)15-5-3-4-6-15/h7,16H,3-6H2,1-2H3
InChIKeyRZFWPUHUONBLQR-UHFFFAOYSA-N
XLogP1.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol?
The IUPAC name of 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol (CID 87522921) is 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol is CC(C)(O)c1cc(N2CCCC2)nc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol?
The InChIKey is RZFWPUHUONBLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-11(2,16)8-7-9(14-10(12)13-8)15-5-3-4-6-15/h7,16H,3-6H2,1-2H3.
What are the key properties of 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol?
2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol has a molecular weight of 241.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol is sourced from PubChem (CID 87522921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).