3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine

C12H19N3 — CID 116898181

IUPAC3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nccc(C2CCC2)n1
InChIInChI=1S/C12H19N3/c1-13-8-3-6-12-14-9-7-11(15-12)10-4-2-5-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyKOZQZAFUPHPCCG-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.90
Rot. Bonds5

About 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine

3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine (PubChem CID 116898181) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine
PubChem CID116898181
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nccc(C2CCC2)n1
InChIInChI=1S/C12H19N3/c1-13-8-3-6-12-14-9-7-11(15-12)10-4-2-5-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyKOZQZAFUPHPCCG-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
CID 116901689
2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
N-methyl-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898152
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
2-[4-(oxan-4-yl)pyrimidin-2-yl]ethanol
CID 116899632
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902732
4-cyclobutyl-2-methylsulfonylpyrimidine
CID 82394382

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine (CID 116898181) is 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine is CNCCCc1nccc(C2CCC2)n1.
What is the InChIKey of 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine?
The InChIKey is KOZQZAFUPHPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-13-8-3-6-12-14-9-7-11(15-12)10-4-2-5-10/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine?
3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 116898181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).