1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H23N3O2 — CID 66327090

IUPAC1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCOc1ncnc(NCC2(O)CCCCC2)c1C
InChIInChI=1S/C14H23N3O2/c1-3-19-13-11(2)12(16-10-17-13)15-9-14(18)7-5-4-6-8-14/h10,18H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyUCAMGFXWPQLOTD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds5

About 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 66327090) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID66327090
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCOc1ncnc(NCC2(O)CCCCC2)c1C
InChIInChI=1S/C14H23N3O2/c1-3-19-13-11(2)12(16-10-17-13)15-9-14(18)7-5-4-6-8-14/h10,18H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyUCAMGFXWPQLOTD-UHFFFAOYSA-N
XLogP2.29
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 66327090) is 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CCOc1ncnc(NCC2(O)CCCCC2)c1C.
What is the InChIKey of 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UCAMGFXWPQLOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-13-11(2)12(16-10-17-13)15-9-14(18)7-5-4-6-8-14/h10,18H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 66327090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).