[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol

C12H20ClN5O — CID 80919691

IUPAC[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nc(NN)ncc2Cl)C1
InChIInChI=1S/C12H20ClN5O/c1-8-3-2-4-12(5-8,7-19)17-10-9(13)6-15-11(16-10)18-14/h6,8,19H,2-5,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyURGMKUHNYJDDIS-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.77
Rot. Bonds4

About [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol

[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 80919691) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID80919691
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nc(NN)ncc2Cl)C1
InChIInChI=1S/C12H20ClN5O/c1-8-3-2-4-12(5-8,7-19)17-10-9(13)6-15-11(16-10)18-14/h6,8,19H,2-5,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyURGMKUHNYJDDIS-UHFFFAOYSA-N
XLogP1.77
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.77
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-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80832083
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol
CID 62526882
[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
CID 80831993
[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80803825
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
[1-(2-amino-6-chloroanilino)-3-methylcyclohexyl]methanol
CID 62551812
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 62858736
[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
CID 102918762
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine
CID 83027879

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol (CID 80919691) is [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2nc(NN)ncc2Cl)C1.
What is the InChIKey of [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is URGMKUHNYJDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-8-3-2-4-12(5-8,7-19)17-10-9(13)6-15-11(16-10)18-14/h6,8,19H,2-5,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 285.78 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80919691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).