1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol

C11H19N3O2 — CID 104917606

IUPAC1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(OC)ncn1
InChIInChI=1S/C11H19N3O2/c1-4-5-11(2,15)7-12-9-6-10(16-3)14-8-13-9/h6,8,15H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyNQGXAMLILLCUFR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds6

About 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 104917606) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID104917606
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(OC)ncn1
InChIInChI=1S/C11H19N3O2/c1-4-5-11(2,15)7-12-9-6-10(16-3)14-8-13-9/h6,8,15H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyNQGXAMLILLCUFR-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138
N-[2-(chloromethyl)-2-ethylbutyl]-6-methoxypyrimidin-4-amine
CID 106252726
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
CID 66320364
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 104917606) is 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(OC)ncn1.
What is the InChIKey of 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is NQGXAMLILLCUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-11(2,15)7-12-9-6-10(16-3)14-8-13-9/h6,8,15H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 104917606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).