3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

C16H27N3 — CID 64985851

IUPAC3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C2CCC2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C16H27N3/c1-11(2)17-10-6-9-15-12(3)18-16(19-13(15)4)14-7-5-8-14/h11,14,17H,5-10H2,1-4H3
InChIKeyKYJIOSRSVLEJIA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.29
Rot. Bonds6

About 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 64985851) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID64985851
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C2CCC2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C16H27N3/c1-11(2)17-10-6-9-15-12(3)18-16(19-13(15)4)14-7-5-8-14/h11,14,17H,5-10H2,1-4H3
InChIKeyKYJIOSRSVLEJIA-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (CID 64985851) is 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is Cc1nc(C2CCC2)nc(C)c1CCCNC(C)C.
What is the InChIKey of 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is KYJIOSRSVLEJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(2)17-10-6-9-15-12(3)18-16(19-13(15)4)14-7-5-8-14/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64985851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).