4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H25N5O — CID 80930969

IUPAC4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(NN)nc(C)n2)CC1
InChIInChI=1S/C14H25N5O/c1-3-11-4-6-14(20,7-5-11)9-16-12-8-13(19-15)18-10(2)17-12/h8,11,20H,3-7,9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyHMELKGMHMBZWNO-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.81
Rot. Bonds5

About 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80930969) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80930969
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(NN)nc(C)n2)CC1
InChIInChI=1S/C14H25N5O/c1-3-11-4-6-14(20,7-5-11)9-16-12-8-13(19-15)18-10(2)17-12/h8,11,20H,3-7,9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyHMELKGMHMBZWNO-UHFFFAOYSA-N
XLogP1.81
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80648199
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310
1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80547172
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80930969) is 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNc2cc(NN)nc(C)n2)CC1.
What is the InChIKey of 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HMELKGMHMBZWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-11-4-6-14(20,7-5-11)9-16-12-8-13(19-15)18-10(2)17-12/h8,11,20H,3-7,9,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80930969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).