4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol

C15H24ClN3O2 — CID 81135118

IUPAC4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCC1(O)CCOCC1
InChIInChI=1S/C15H24ClN3O2/c1-10-11(16)18-13(14(2,3)4)19-12(10)17-9-15(20)5-7-21-8-6-15/h20H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyQLQKPLLPBOOLTJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.69
Rot. Bonds3

About 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 81135118) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID81135118
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCC1(O)CCOCC1
InChIInChI=1S/C15H24ClN3O2/c1-10-11(16)18-13(14(2,3)4)19-12(10)17-9-15(20)5-7-21-8-6-15/h20H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyQLQKPLLPBOOLTJ-UHFFFAOYSA-N
XLogP2.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 81135118) is 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol is Cc1c(Cl)nc(C(C)(C)C)nc1NCC1(O)CCOCC1.
What is the InChIKey of 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is QLQKPLLPBOOLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-10-11(16)18-13(14(2,3)4)19-12(10)17-9-15(20)5-7-21-8-6-15/h20H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 313.83 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81135118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).