2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

C13H23N3O — CID 63962761

IUPAC2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-13(5,17)8-14-11-7-10(4)15-12(16-11)9(2)3/h7,9,17H,6,8H2,1-5H3,(H,14,15,16)
InChIKeyHSOFRVQCTSLLQD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 63962761) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID63962761
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-13(5,17)8-14-11-7-10(4)15-12(16-11)9(2)3/h7,9,17H,6,8H2,1-5H3,(H,14,15,16)
InChIKeyHSOFRVQCTSLLQD-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol with MolForge

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 79563522
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 115697086
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80993004
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (CID 63962761) is 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is CCC(C)(O)CNc1cc(C)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is HSOFRVQCTSLLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-13(5,17)8-14-11-7-10(4)15-12(16-11)9(2)3/h7,9,17H,6,8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 63962761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).