1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

C14H25N5O — CID 80915305

IUPAC1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCc1c(NN)ncnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H25N5O/c1-3-11-12(17-9-18-13(11)19-15)16-8-14(20)6-4-10(2)5-7-14/h9-10,20H,3-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyFWSYIKINYZFIOE-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.68
Rot. Bonds5

About 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 80915305) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID80915305
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCc1c(NN)ncnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H25N5O/c1-3-11-12(17-9-18-13(11)19-15)16-8-14(20)6-4-10(2)5-7-14/h9-10,20H,3-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyFWSYIKINYZFIOE-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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'}

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Related Compounds

1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80915300
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826718
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80842529
1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118696
N-(2-cyclopropylethyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924360
4-methyl-1-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842436

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 80915305) is 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is CCc1c(NN)ncnc1NCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is FWSYIKINYZFIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-11-12(17-9-18-13(11)19-15)16-8-14(20)6-4-10(2)5-7-14/h9-10,20H,3-8,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 80915305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).