3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine

C12H19N3 — CID 116899145

IUPAC3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCC(C)Cc1ccnc(C2CC(N)C2)n1
InChIInChI=1S/C12H19N3/c1-8(2)5-11-3-4-14-12(15-11)9-6-10(13)7-9/h3-4,8-10H,5-7,13H2,1-2H3
InChIKeyUFQVTQJFBHSLNQ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.88
Rot. Bonds3

About 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine

3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine (PubChem CID 116899145) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
PubChem CID116899145
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCC(C)Cc1ccnc(C2CC(N)C2)n1
InChIInChI=1S/C12H19N3/c1-8(2)5-11-3-4-14-12(15-11)9-6-10(13)7-9/h3-4,8-10H,5-7,13H2,1-2H3
InChIKeyUFQVTQJFBHSLNQ-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine
CID 84663586
3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
CID 116899147
3-[4-(2-methylpropyl)pyrimidin-2-yl]azepane
CID 84697087
3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893625
1-[2-(3-methylcyclohexyl)pyrimidin-4-yl]propan-2-amine
CID 62746094
4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899107
N-methyl-4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088110
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
CID 116902221
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899196
2-cyclododecyl-4-ethylpyrimidine
CID 134492338
2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
CID 158691450

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine (CID 116899145) is 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine is CC(C)Cc1ccnc(C2CC(N)C2)n1.
What is the InChIKey of 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
The InChIKey is UFQVTQJFBHSLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)5-11-3-4-14-12(15-11)9-6-10(13)7-9/h3-4,8-10H,5-7,13H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine?
3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116899145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).