4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

C14H23N3O — CID 65120061

IUPAC4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncc(C)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-3-12-4-6-14(18,7-5-12)10-17-13-15-8-11(2)9-16-13/h8-9,12,18H,3-7,10H2,1-2H3,(H,15,16,17)
InChIKeyQQJXJSCJEJVYPT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.53
Rot. Bonds4

About 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65120061) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65120061
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncc(C)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-3-12-4-6-14(18,7-5-12)10-17-13-15-8-11(2)9-16-13/h8-9,12,18H,3-7,10H2,1-2H3,(H,15,16,17)
InChIKeyQQJXJSCJEJVYPT-UHFFFAOYSA-N
XLogP2.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65122923
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118365
1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 105362695
1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121903
4-ethyl-1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327648

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65120061) is 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNc2ncc(C)cn2)CC1.
What is the InChIKey of 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QQJXJSCJEJVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-12-4-6-14(18,7-5-12)10-17-13-15-8-11(2)9-16-13/h8-9,12,18H,3-7,10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65120061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).