1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

C14H22ClN3O — CID 65121660

IUPAC1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCc1c(Cl)ncnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-11-12(15)17-9-18-13(11)16-8-14(19)6-4-10(2)5-7-14/h9-10,19H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyKXKLXHDODMGEHM-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.05
Rot. Bonds4

About 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65121660) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65121660
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCc1c(Cl)ncnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-11-12(15)17-9-18-13(11)16-8-14(19)6-4-10(2)5-7-14/h9-10,19H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyKXKLXHDODMGEHM-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121903
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826718
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118696
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80915300
4-methyl-1-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842436
1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65121518

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65121660) is 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is CCc1c(Cl)ncnc1NCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is KXKLXHDODMGEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-11-12(15)17-9-18-13(11)16-8-14(19)6-4-10(2)5-7-14/h9-10,19H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.05, 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-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65121660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).