6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine

C17H21N3 — CID 116506979

IUPAC6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C17H21N3/c1-11(2)17-19-15(10-16(18)20-17)14-8-6-13(7-9-14)12-4-3-5-12/h6-12H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeyXKVGAICRUKONBR-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.12
Rot. Bonds3

About 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine

6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 116506979) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID116506979
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C17H21N3/c1-11(2)17-19-15(10-16(18)20-17)14-8-6-13(7-9-14)12-4-3-5-12/h6-12H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeyXKVGAICRUKONBR-UHFFFAOYSA-N
XLogP4.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidine
CID 116506901
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
CID 130056199
2-propan-2-yl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80952767
4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
CID 116506889
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 107290566
2-tert-butyl-4-(4-cyclobutylphenyl)-1H-pyrimidin-6-one
CID 136770161
2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine
CID 102551446
4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80952496
4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960192

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 116506979) is 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XKVGAICRUKONBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11(2)17-19-15(10-16(18)20-17)14-8-6-13(7-9-14)12-4-3-5-12/h6-12H,3-5H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116506979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).