1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol

C15H24ClN3O — CID 102963130

IUPAC1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCC(C)C(O)C1
InChIInChI=1S/C15H24ClN3O/c1-9-6-7-19(8-11(9)20)13-10(2)12(16)17-14(18-13)15(3,4)5/h9,11,20H,6-8H2,1-5H3
InChIKeyJXODVIUROKWZCI-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.94
Rot. Bonds1

About 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol

1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 102963130) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID102963130
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCC(C)C(O)C1
InChIInChI=1S/C15H24ClN3O/c1-9-6-7-19(8-11(9)20)13-10(2)12(16)17-14(18-13)15(3,4)5/h9,11,20H,6-8H2,1-5H3
InChIKeyJXODVIUROKWZCI-UHFFFAOYSA-N
XLogP2.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 102963130) is 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol is Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC(C)C(O)C1.
What is the InChIKey of 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is JXODVIUROKWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-9-6-7-19(8-11(9)20)13-10(2)12(16)17-14(18-13)15(3,4)5/h9,11,20H,6-8H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 297.83 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102963130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).