[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C14H23N3O — CID 112697562

IUPAC[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCCc1cc(NCC2(CO)CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-12-8-13(17-11-16-12)15-9-14(10-18)6-4-3-5-7-14/h8,11,18H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeySPQMYWZCHIKFIS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.39
Rot. Bonds5

About [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 112697562) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID112697562
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCCc1cc(NCC2(CO)CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-12-8-13(17-11-16-12)15-9-14(10-18)6-4-3-5-7-14/h8,11,18H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeySPQMYWZCHIKFIS-UHFFFAOYSA-N
XLogP2.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726
[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443640
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 65110996
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433253
[1-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclopentyl]methanol
CID 115360729
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 112697562) is [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is CCc1cc(NCC2(CO)CCCCC2)ncn1.
What is the InChIKey of [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is SPQMYWZCHIKFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-12-8-13(17-11-16-12)15-9-14(10-18)6-4-3-5-7-14/h8,11,18H,2-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 112697562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).