5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine

C15H28N4O — CID 83186144

IUPAC5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
SMILESCOCC(C)N(C)c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H28N4O/c1-11(10-20-7)19(6)14-16-8-13(12(2)18-14)9-17-15(3,4)5/h8,11,17H,9-10H2,1-7H3
InChIKeyWBMHRGGMNQAVGD-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.14
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine

5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 83186144) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
PubChem CID83186144
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
SMILESCOCC(C)N(C)c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H28N4O/c1-11(10-20-7)19(6)14-16-8-13(12(2)18-14)9-17-15(3,4)5/h8,11,17H,9-10H2,1-7H3
InChIKeyWBMHRGGMNQAVGD-UHFFFAOYSA-N
XLogP2.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
CID 83189627
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
6-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methylpyrazin-2-amine
CID 66456847
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83178532
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 83187513
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine (CID 83186144) is 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine is COCC(C)N(C)c1ncc(CNC(C)(C)C)c(C)n1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is WBMHRGGMNQAVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(10-20-7)19(6)14-16-8-13(12(2)18-14)9-17-15(3,4)5/h8,11,17H,9-10H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83186144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).