3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine

C11H17N3 — CID 116899147

IUPAC3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCC(C)c1ccnc(C2CC(N)C2)n1
InChIInChI=1S/C11H17N3/c1-7(2)10-3-4-13-11(14-10)8-5-9(12)6-8/h3-4,7-9H,5-6,12H2,1-2H3
InChIKeyBIYPUDFMERCGEM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine

3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine (PubChem CID 116899147) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
PubChem CID116899147
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCC(C)c1ccnc(C2CC(N)C2)n1
InChIInChI=1S/C11H17N3/c1-7(2)10-3-4-13-11(14-10)8-5-9(12)6-8/h3-4,7-9H,5-6,12H2,1-2H3
InChIKeyBIYPUDFMERCGEM-UHFFFAOYSA-N
XLogP1.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899145
2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
CID 167163743
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899196
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899170
1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
CID 164644483
3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 115998463
3-quinazolin-2-ylcyclobutan-1-amine
CID 155173666
N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine
CID 10820941
3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893628
2-cyclobutyloxy-4-propan-2-ylpyrimidine
CID 58592746

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine (CID 116899147) is 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine is CC(C)c1ccnc(C2CC(N)C2)n1.
What is the InChIKey of 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
The InChIKey is BIYPUDFMERCGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(2)10-3-4-13-11(14-10)8-5-9(12)6-8/h3-4,7-9H,5-6,12H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116899147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).