1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol

C15H17ClN2O — CID 56665853

IUPAC1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol
SMILESCC(C)CC(O)(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C15H17ClN2O/c1-11(2)7-15(19,13-8-17-10-18-9-13)12-3-5-14(16)6-4-12/h3-6,8-11,19H,7H2,1-2H3
InChIKeySWEHWRJJWONTDG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol

1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol (PubChem CID 56665853) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol
PubChem CID56665853
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol
SMILESCC(C)CC(O)(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C15H17ClN2O/c1-11(2)7-15(19,13-8-17-10-18-9-13)12-3-5-14(16)6-4-12/h3-6,8-11,19H,7H2,1-2H3
InChIKeySWEHWRJJWONTDG-UHFFFAOYSA-N
XLogP3.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol (CID 56665853) is 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol is CC(C)CC(O)(c1ccc(Cl)cc1)c1cncnc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol?
The InChIKey is SWEHWRJJWONTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(2)7-15(19,13-8-17-10-18-9-13)12-3-5-14(16)6-4-12/h3-6,8-11,19H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol?
1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol has a molecular weight of 276.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol is sourced from PubChem (CID 56665853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).