3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine

C12H21N3 — CID 116898247

IUPAC3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-9(8-13)7-11-14-6-5-10(15-11)12(2,3)4/h5-6,9H,7-8,13H2,1-4H3
InChIKeyJLYHWNCIBJECCK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.91
Rot. Bonds3

About 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine

3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine (PubChem CID 116898247) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
PubChem CID116898247
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-9(8-13)7-11-14-6-5-10(15-11)12(2,3)4/h5-6,9H,7-8,13H2,1-4H3
InChIKeyJLYHWNCIBJECCK-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116898266
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898304
3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol
CID 64586633
4-tert-butyl-2-(2-phenylethyl)pyrimidine
CID 58147148
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
CID 64586268
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279487
4-tert-butyl-2-propan-2-yloxypyrimidine
CID 169042531
N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
CID 64586441

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine (CID 116898247) is 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1nccc(C(C)(C)C)n1.
What is the InChIKey of 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine?
The InChIKey is JLYHWNCIBJECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(8-13)7-11-14-6-5-10(15-11)12(2,3)4/h5-6,9H,7-8,13H2,1-4H3.
What are the key properties of 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine?
3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 116898247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).