3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol

C13H20ClN3O — CID 102865866

IUPAC3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESCc1nc(Cl)c(C)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17(7-4-8-18)11-5-3-6-11/h11,18H,3-8H2,1-2H3
InChIKeyBSISHJZPGXRABL-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.49
Rot. Bonds5

About 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol

3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102865866) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
PubChem CID102865866
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESCc1nc(Cl)c(C)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17(7-4-8-18)11-5-3-6-11/h11,18H,3-8H2,1-2H3
InChIKeyBSISHJZPGXRABL-UHFFFAOYSA-N
XLogP2.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (CID 102865866) is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is Cc1nc(Cl)c(C)c(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is BSISHJZPGXRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17(7-4-8-18)11-5-3-6-11/h11,18H,3-8H2,1-2H3.
What are the key properties of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 269.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102865866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).