1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C14H22ClN3O — CID 65121903

IUPAC1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncnc(Cl)c2C)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-11-4-6-14(19,7-5-11)8-16-13-10(2)12(15)17-9-18-13/h9,11,19H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyORSMSSPFYYMXAT-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds4

About 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65121903) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65121903
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncnc(Cl)c2C)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-11-4-6-14(19,7-5-11)8-16-13-10(2)12(15)17-9-18-13/h9,11,19H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyORSMSSPFYYMXAT-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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Related Compounds

1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65122923
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 65121903) is 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2ncnc(Cl)c2C)CC1.
What is the InChIKey of 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is ORSMSSPFYYMXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-11-4-6-14(19,7-5-11)8-16-13-10(2)12(15)17-9-18-13/h9,11,19H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(6-chloro-5-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-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65121903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).