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

C12H21N5O — CID 106138816

IUPAC4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc(NN)cc(NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H21N5O/c1-8-15-11(6-12(16-8)17-13)14-7-9-2-4-10(18)5-3-9/h6,9-10,18H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOCHFLTJYEBPDOD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.03
Rot. Bonds4

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

4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138816) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106138816
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc(NN)cc(NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H21N5O/c1-8-15-11(6-12(16-8)17-13)14-7-9-2-4-10(18)5-3-9/h6,9-10,18H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOCHFLTJYEBPDOD-UHFFFAOYSA-N
XLogP1.03
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.03
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

4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702
3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138701
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
4-[[(6-hydrazinylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138813
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106138816) is 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1nc(NN)cc(NCC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is OCHFLTJYEBPDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-15-11(6-12(16-8)17-13)14-7-9-2-4-10(18)5-3-9/h6,9-10,18H,2-5,7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).