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

C15H24ClN3O — CID 102865835

IUPAC3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESCCCc1nc(Cl)c(C)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C15H24ClN3O/c1-3-6-13-17-14(16)11(2)15(18-13)19(9-5-10-20)12-7-4-8-12/h12,20H,3-10H2,1-2H3
InChIKeyVHSFTEIHGSGOJD-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.13
Rot. Bonds7

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

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102865835) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
PubChem CID102865835
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESCCCc1nc(Cl)c(C)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C15H24ClN3O/c1-3-6-13-17-14(16)11(2)15(18-13)19(9-5-10-20)12-7-4-8-12/h12,20H,3-10H2,1-2H3
InChIKeyVHSFTEIHGSGOJD-UHFFFAOYSA-N
XLogP3.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (CID 102865835) is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is CCCc1nc(Cl)c(C)c(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is VHSFTEIHGSGOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-6-13-17-14(16)11(2)15(18-13)19(9-5-10-20)12-7-4-8-12/h12,20H,3-10H2,1-2H3.
What are the key properties of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102865835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).