1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol

C15H17ClN2O — CID 56665461

IUPAC1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol
SMILESCCCCC(O)(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C15H17ClN2O/c1-2-3-8-15(19,13-9-17-11-18-10-13)12-4-6-14(16)7-5-12/h4-7,9-11,19H,2-3,8H2,1H3
InChIKeyLVJQRAJOLZUUKW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol

1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol (PubChem CID 56665461) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol
PubChem CID56665461
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol
SMILESCCCCC(O)(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C15H17ClN2O/c1-2-3-8-15(19,13-9-17-11-18-10-13)12-4-6-14(16)7-5-12/h4-7,9-11,19H,2-3,8H2,1H3
InChIKeyLVJQRAJOLZUUKW-UHFFFAOYSA-N
XLogP3.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol (CID 56665461) is 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol is CCCCC(O)(c1ccc(Cl)cc1)c1cncnc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol?
The InChIKey is LVJQRAJOLZUUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-3-8-15(19,13-9-17-11-18-10-13)12-4-6-14(16)7-5-12/h4-7,9-11,19H,2-3,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol?
1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol has a molecular weight of 276.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol is sourced from PubChem (CID 56665461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).