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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Related Compounds

2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
2-tert-butyl-4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyrimidine
CID 80968205
1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol
CID 102963145
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
CID 80977699
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine
CID 80971922
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
CID 80978725
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine
CID 80970909
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157

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).