[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

C12H21N5O — CID 80918902

IUPAC[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ccnc(NN)n2)CC1
InChIInChI=1S/C12H21N5O/c1-9-2-5-12(8-18,6-3-9)16-10-4-7-14-11(15-10)17-13/h4,7,9,18H,2-3,5-6,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyCIRZJVKNIVSXCC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.12
Rot. Bonds4

About [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol (PubChem CID 80918902) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
PubChem CID80918902
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ccnc(NN)n2)CC1
InChIInChI=1S/C12H21N5O/c1-9-2-5-12(8-18,6-3-9)16-10-4-7-14-11(15-10)17-13/h4,7,9,18H,2-3,5-6,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyCIRZJVKNIVSXCC-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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-methyl-1-[(4-methyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 62525331
[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80833509
[4-methyl-1-(quinoxalin-2-ylamino)cyclohexyl]methanol
CID 62525503
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpyrimidin-4-amine
CID 65028103
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495
[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol
CID 114789059
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 62525855
[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
CID 81132451
[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80832803
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80833108
[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80803602

Frequently Asked Questions

What is the IUPAC name of [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol (CID 80918902) is [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2ccnc(NN)n2)CC1.
What is the InChIKey of [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is CIRZJVKNIVSXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-2-5-12(8-18,6-3-9)16-10-4-7-14-11(15-10)17-13/h4,7,9,18H,2-3,5-6,8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 80918902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).