[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol

C14H23N3O — CID 81132451

IUPAC[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
SMILESCc1ccc(N)c(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-5-7-14(9-18,8-6-10)17-13-12(15)4-3-11(2)16-13/h3-4,10,18H,5-9,15H2,1-2H3,(H,16,17)
InChIKeyXDLAHZGYKRUEQT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.33
Rot. Bonds3

About [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol

[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol (PubChem CID 81132451) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
PubChem CID81132451
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
SMILESCc1ccc(N)c(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-5-7-14(9-18,8-6-10)17-13-12(15)4-3-11(2)16-13/h3-4,10,18H,5-9,15H2,1-2H3,(H,16,17)
InChIKeyXDLAHZGYKRUEQT-UHFFFAOYSA-N
XLogP2.33
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
CID 115474089
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol
CID 62552477
[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol
CID 62551279
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile
CID 62526707
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
4-amino-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 104711878
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80918902
[4-methyl-1-[(4-methyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 62525331
[1-[(5-iodopyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 66341480
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80833108

Frequently Asked Questions

What is the IUPAC name of [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol (CID 81132451) is [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol is Cc1ccc(N)c(NC2(CO)CCC(C)CC2)n1.
What is the InChIKey of [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is XDLAHZGYKRUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-5-7-14(9-18,8-6-10)17-13-12(15)4-3-11(2)16-13/h3-4,10,18H,5-9,15H2,1-2H3,(H,16,17).
What are the key properties of [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
[1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 81132451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).