2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C12H18ClN3O — CID 64911292

IUPAC2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCCCC2O)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-8-6-11(16-12(13)15-8)14-7-9-4-2-3-5-10(9)17/h6,9-10,17H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyXMABKIPLNBVHCA-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.40
Rot. Bonds3

About 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64911292) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64911292
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCCCC2O)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-8-6-11(16-12(13)15-8)14-7-9-4-2-3-5-10(9)17/h6,9-10,17H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyXMABKIPLNBVHCA-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 64911292) is 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1cc(NCC2CCCCC2O)nc(Cl)n1.
What is the InChIKey of 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XMABKIPLNBVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-6-11(16-12(13)15-8)14-7-9-4-2-3-5-10(9)17/h6,9-10,17H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).