1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol

C14H21Cl2N3O — CID 102758689

IUPAC1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCNc1nc(NCC2(O)CCCC(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-9-4-3-5-14(20,7-9)8-18-13-11(16)6-10(15)12(17-2)19-13/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyHAOFLYFKISLDTF-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.78
Rot. Bonds4

About 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol

1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 102758689) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID102758689
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCNc1nc(NCC2(O)CCCC(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-9-4-3-5-14(20,7-9)8-18-13-11(16)6-10(15)12(17-2)19-13/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyHAOFLYFKISLDTF-UHFFFAOYSA-N
XLogP3.78
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63963822
3-methyl-1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 78955390
1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65121518
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
1-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66076891
1-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 104924128
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80842915
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 63184263
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152

Frequently Asked Questions

What is the IUPAC name of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol (CID 102758689) is 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol is CNc1nc(NCC2(O)CCCC(C)C2)c(Cl)cc1Cl.
What is the InChIKey of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is HAOFLYFKISLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-9-4-3-5-14(20,7-9)8-18-13-11(16)6-10(15)12(17-2)19-13/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol?
1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 318.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 102758689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).