1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine

C16H27N3 — CID 131943367

IUPAC1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine
SMILESCCc1ncc(CNCC2(CC(C)C)CCC2)cn1
InChIInChI=1S/C16H27N3/c1-4-15-18-10-14(11-19-15)9-17-12-16(6-5-7-16)8-13(2)3/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyPHICHKREHRTRPS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.35
Rot. Bonds7

About 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine

1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine (PubChem CID 131943367) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine
PubChem CID131943367
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine
SMILESCCc1ncc(CNCC2(CC(C)C)CCC2)cn1
InChIInChI=1S/C16H27N3/c1-4-15-18-10-14(11-19-15)9-17-12-16(6-5-7-16)8-13(2)3/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyPHICHKREHRTRPS-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine (CID 131943367) is 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine is CCc1ncc(CNCC2(CC(C)C)CCC2)cn1.
What is the InChIKey of 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine?
The InChIKey is PHICHKREHRTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-15-18-10-14(11-19-15)9-17-12-16(6-5-7-16)8-13(2)3/h10-11,13,17H,4-9,12H2,1-3H3.
What are the key properties of 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine?
1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrimidin-5-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]methanamine is sourced from PubChem (CID 131943367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).