6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol

C12H21N3O2 — CID 113351651

IUPAC6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
SMILESCOc1cc(C)nc(NCCCCCCO)n1
InChIInChI=1S/C12H21N3O2/c1-10-9-11(17-2)15-12(14-10)13-7-5-3-4-6-8-16/h9,16H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyGVGSMPCNEGRGPE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.76
Rot. Bonds8

About 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol

6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol (PubChem CID 113351651) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
PubChem CID113351651
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
SMILESCOc1cc(C)nc(NCCCCCCO)n1
InChIInChI=1S/C12H21N3O2/c1-10-9-11(17-2)15-12(14-10)13-7-5-3-4-6-8-16/h9,16H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyGVGSMPCNEGRGPE-UHFFFAOYSA-N
XLogP1.76
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol (CID 113351651) is 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol is COc1cc(C)nc(NCCCCCCO)n1.
What is the InChIKey of 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol?
The InChIKey is GVGSMPCNEGRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-9-11(17-2)15-12(14-10)13-7-5-3-4-6-8-16/h9,16H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol?
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 113351651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).