5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

C12H21N3O2 — CID 106162116

IUPAC5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCOc1ncnc(NCCCC(C)CO)c1C
InChIInChI=1S/C12H21N3O2/c1-9(7-16)5-4-6-13-11-10(2)12(17-3)15-8-14-11/h8-9,16H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyBRGKUTZRVXRTQT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.61
Rot. Bonds7

About 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 106162116) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID106162116
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCOc1ncnc(NCCCC(C)CO)c1C
InChIInChI=1S/C12H21N3O2/c1-9(7-16)5-4-6-13-11-10(2)12(17-3)15-8-14-11/h8-9,16H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyBRGKUTZRVXRTQT-UHFFFAOYSA-N
XLogP1.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.61
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

4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 66326883
5-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163669
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 66331320
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
CID 66325227
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 66332349
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 106162116) is 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is COc1ncnc(NCCCC(C)CO)c1C.
What is the InChIKey of 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is BRGKUTZRVXRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(7-16)5-4-6-13-11-10(2)12(17-3)15-8-14-11/h8-9,16H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).