5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol

C13H22ClN3O — CID 107201810

IUPAC5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCC(C)c1nc(Cl)cc(N(C)CCCCCO)n1
InChIInChI=1S/C13H22ClN3O/c1-10(2)13-15-11(14)9-12(16-13)17(3)7-5-4-6-8-18/h9-10,18H,4-8H2,1-3H3
InChIKeyGWMVXPOBWXFPHL-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.85
Rot. Bonds7

About 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol

5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107201810) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
PubChem CID107201810
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCC(C)c1nc(Cl)cc(N(C)CCCCCO)n1
InChIInChI=1S/C13H22ClN3O/c1-10(2)13-15-11(14)9-12(16-13)17(3)7-5-4-6-8-18/h9-10,18H,4-8H2,1-3H3
InChIKeyGWMVXPOBWXFPHL-UHFFFAOYSA-N
XLogP2.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol (CID 107201810) is 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol is CC(C)c1nc(Cl)cc(N(C)CCCCCO)n1.
What is the InChIKey of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is GWMVXPOBWXFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-10(2)13-15-11(14)9-12(16-13)17(3)7-5-4-6-8-18/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107201810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).