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

C14H22ClN3O — CID 65121856

IUPAC1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(Cl)nc(C)n2)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-11-4-6-14(19,7-5-11)9-16-13-8-12(15)17-10(2)18-13/h8,11,19H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyONXKMSBJSXQLLL-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds4

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

1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65121856) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65121856
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(Cl)nc(C)n2)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-11-4-6-14(19,7-5-11)9-16-13-8-12(15)17-10(2)18-13/h8,11,19H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyONXKMSBJSXQLLL-UHFFFAOYSA-N
XLogP3.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 65121856) is 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cc(Cl)nc(C)n2)CC1.
What is the InChIKey of 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is ONXKMSBJSXQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-11-4-6-14(19,7-5-11)9-16-13-8-12(15)17-10(2)18-13/h8,11,19H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65121856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).