2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol

C14H24N4O2 — CID 102640153

IUPAC2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1ncnc(N(C)C2CCCCC2O)c1OC
InChIInChI=1S/C14H24N4O2/c1-4-15-13-12(20-3)14(17-9-16-13)18(2)10-7-5-6-8-11(10)19/h9-11,19H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRXFFSIWGAFSVIR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds5

About 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol

2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640153) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640153
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1ncnc(N(C)C2CCCCC2O)c1OC
InChIInChI=1S/C14H24N4O2/c1-4-15-13-12(20-3)14(17-9-16-13)18(2)10-7-5-6-8-11(10)19/h9-11,19H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRXFFSIWGAFSVIR-UHFFFAOYSA-N
XLogP1.66
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640226
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631435
2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 63022258
4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 83039257
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 102635901
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799644

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102640153) is 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol is CCNc1ncnc(N(C)C2CCCCC2O)c1OC.
What is the InChIKey of 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is RXFFSIWGAFSVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-15-13-12(20-3)14(17-9-16-13)18(2)10-7-5-6-8-11(10)19/h9-11,19H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).